CAS No.: 20445-31-2 — - ((R)-(+)-α-甲氧基-α-(三氟甲基)苯乙酸)

1. Primary Information

English name:	-
CAS No.:	20445-31-2
Molecular formula:	-
Molecular weight:	- g/mol
SMILES:	-
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	98%	144	2-8℃ 氮气保存	in stock	-
Kehua Intelligence	250mg	98%	320	2-8℃ 氮气保存	in stock	-
Kehua Intelligence	1g	98%	960	2-8℃ 氮气保存	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 25 0 1 0 0 0 0 0999 V2000 1.2523 -2.1332 -0.2904 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8592 -0.7068 0.1016 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -1.1453 1.6443 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9532 0.2638 -1.6298 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9479 1.6385 1.6985 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8224 2.3648 -0.2616 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6702 0.1951 -0.2168 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8087 0.0833 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5478 -0.9610 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 1.5075 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 1.0404 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3537 -0.9783 0.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0294 0.9359 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7366 -1.0830 0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 -0.1259 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 -0.8957 -2.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2401 1.8746 -1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7473 -1.7508 1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6819 1.6810 -0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 -1.9103 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6511 -0.2075 0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -1.4205 -1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 -1.5937 -2.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1892 -0.5863 -3.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2935 2.4820 2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 9 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 5 25 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid

4.2 InChI

InChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m1/s1

4.3 InChIKey

JJYKJUXBWFATTE-SECBINFHSA-N

4.4 Canonical SMILES

COC(C1=CC=CC=C1)(C(=O)O)C(F)(F)F

4.5 Isomeric SMILES

CO[C@](C1=CC=CC=C1)(C(=O)O)C(F)(F)F

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

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5.2 ¹H nuclear magnetic resonance (¹H NMR)

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5.3 Mass spectrometry (MS)

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5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)