AG00113S

132741-31-2 | Benzeneacetic acid, 3,5-difluoro-α-hydroxy-

AG00113S

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CAS Number	132741-31-2
Catalog Number	AG00113S(AGN-PC-0PJST0)
Chemical Name	Benzeneacetic acid, 3,5-difluoro-α-hydroxy-
IUPAC Name	2-(3,5-difluorophenyl)-2-hydroxyacetic acid
InChI	InChI=1S/C8H6F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChI Key	PHMLPPFFMSRWBK-UHFFFAOYSA-N
MDL Number	MFCD00061300
Molecular Formula	C8H6F2O3
Molecular Weight	188.1282
SMILES	C(C(=O)O)(O)c1cc(F)cc(c1)F
Synonyms	1-(1,3-dimethyl-3-nitrobutyloxymethyl)-2-hydroxyiminomethyl-3-methylimidazolium, 2-hydroxyiminomethyl-3-methyl-1-(2-(3-methyl-3-nitrobutyloxymethyl))imidazolium, CD 467, CD-467, ICD 467, ICD-467, WR 255,737, WR 255737, WR-255737, 3,5-Difluoromandelic acid, 132741-31-2, 2-(3,5-difluorophenyl)-2-hydroxyacetic acid, PHMLPPFFMSRWBK-UHFFFAOYSA-N, 3,5-Difluoromandelic acid, 97%, MFCD00061300, AC1LBTCA, 3,5-difluoro-mandelic acid, SCHEMBL851355, AC1Q76K3, Jsp001987, DTXSID10343273, (r/s)-3,5-difluoromandelic acid, 209982-91-2, CS-B0381, KS-00000Z4X, racemic 3,5-difluoro-mandelic acid, 3,5-difluorophenylhydroxyacetic acid, CD-467, SBB063859, AKOS006223926, (3,5-Difluorophenyl)hydroxyacetic acid, MCULE-8616121958, PS-6482, RP24806, VZ25775, (3,5-Difluorophenyl)(hydroxy)acetic acid, AC-10451, AK-23667, AN-32167, BR-23667, SC-76356, (3,5-Difluoro-phenyl)-hydroxy-acetic acid, 3,5-difluoro-alpha-hydroxyphenylacetic acid, AB0011843, alpha-Hydroxy-3,5-difluorophenylacetic acid, ST2417294, (3,5-Difluorophenyl)(hydroxy)acetic acid #, 4CH-014578, AM20060915, D1169, FT-0601473, ST50407305, 3,5-DIFLUORO-ALPHA-HYDROXYPHENYLACETIC, 2-(3,5-difluorophenyl)-2-hydroxy-acetic acid, Benzeneacetic acid, 3,5-difluoro-alpha-hydroxy-, I01-3109, J-511329, 3,5-Difluoro mandelic acid, C8H6F2O3, (S)-3,5-Difluoromandelic acid, CID588648, ACN-050273, 3,5-Difluoromandelic acid, 97% - 1G 1g,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.029g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	188.13g/mol
Monoisotopic Mass	188.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

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

Lot Number