AG00C82D

395-05-1 | 3-Fluoromandelic acid

AG00C82D

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CAS Number	395-05-1
Catalog Number	AG00C82D(AGN-PC-0RJVPI)
Chemical Name	3-Fluoromandelic acid
IUPAC Name	2-(3-fluorophenyl)-2-hydroxyacetic acid
InChI	InChI=1S/C8H7FO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChI Key	HNUJOYMRHWMPOM-UHFFFAOYSA-N
MDL Number	MFCD01922105
Molecular Formula	C8H7FO3
Molecular Weight	170.1378
NSC Number	73991
SMILES	O=C(O)C(C1=CC=CC(F)=C1)O
Synonyms	3-Fluoromandelic acid, 395-05-1, 2-(3-fluorophenyl)-2-hydroxyacetic acid, 2-(3-fluorophenyl)-2-hydroxy-acetic acid, (3-fluorophenyl)(hydroxy)acetic acid, NSC73991, m-Fluoromandelic acid, 3-fluoro-mandelic acid, AC1L5LQQ, AC1Q4NBA, SCHEMBL287924, CTK1C5463, 3-Fluoromandelic acid, AldrichCPR, 2419AE, MFCD03095383, NSC-73991, AKOS005265605, 3-Fluoro-alpha-hydroxy-benzeneacetic acid, AK130153, TR-033272, FT-0677346, ST24027510, C8H7FO3, KST-1A5228, AR-1A4195, CID252332, 3-Fluoro-a-hydroxy-benzeneacetic acid, 5175-87-1,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	170.139g/mol
Monoisotopic Mass	170.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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