AG00BZBN

395-35-7 | 4-(Trifluoromethyl)mandelic acid

AG00BZBN

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CAS Number	395-35-7
Catalog Number	AG00BZBN(AGN-PC-0RJZLB)
Chemical Name	4-(Trifluoromethyl)mandelic acid
EC Number	206-900-1
IUPAC Name	2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid
InChI	InChI=1S/C9H7F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)
InChI Key	SDGXYUQKJPFLDG-UHFFFAOYSA-N
MDL Number	MFCD00009724
Molecular Formula	C9H7F3O3
Molecular Weight	220.1453
SMILES	O=C(O)C(O)C1=CC=C(C(F)(F)F)C=C1
Synonyms	4-trifluoromethylmandelic acid, 4-trifluoromethylmandelic acid, (R)-isomer, p-TFM cpd, p-trifluoromethylmandelic acid, rac-p-TFM, 395-35-7, 4-(Trifluoromethyl)mandelic acid, 2-Hydroxy-2-(4-(trifluoromethyl)phenyl)acetic acid, 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid, 4-Trifluoromethylmandelic acid, 4-(Trifluoromethyl)phenylglycolic acid, 2-(4-(trifluoromethyl)phenyl)-2-hydroxyacetic acid, Hydroxy[4-(trifluoromethyl)phenyl]acetic acid, SDGXYUQKJPFLDG-UHFFFAOYSA-N, MFCD00009724, EINECS 206-900-1, 395-35-7[rn], AC1Q4JOE, AC1L4V2M, p-Trifluoromethylmandelic acid, SCHEMBL504284, CTK7J6306, 4 - (Trifluoromethyl)mandelic acid, SBB095893, AKOS005258103, AN-6249, AS01792, DS-2858, FS-1141, MCULE-5168248235, VZ28030, 4-(Trifluoromethyl)mandelic acid, 98%, KS-0000256S, AB0030498, ST2416949, TR-033537, FT-0616932, ST50307070, X2696, Hydroxy-(4-trifluoromethyl-phenyl)-acetic acid, Hydroxy[4-(trifluoromethyl)phenyl]acetic acid #, I04-4407, Benzeneacetic acid, alpha-hydroxy-4-(trifluoromethyl)-, Z1741958976, Benzeneacetic acid, .alpha.-hydroxy-4-(trifluoromethyl)-, C9H7F3O3, C9-H7-F3-O3, AR-1F1487, CID164593, D1226, 2-Hydroxy-2-(4-(trifluoromethyl)phenyl)aceticacid, 4-(Trifluoromethyl)mandelic acid, 98% - 1G 1g, 5177-21-9,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.035g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	220.147g/mol
Monoisotopic Mass	220.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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