AG002AV3

197507-22-5 | Benzoic acid, 2-fluoro-4-hydroxy-, methyl ester

AG002AV3

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CAS Number	197507-22-5
Catalog Number	AG002AV3(AGN-PC-03P9W7)
Chemical Name	Benzoic acid, 2-fluoro-4-hydroxy-, methyl ester
IUPAC Name	methyl 2-fluoro-4-hydroxybenzoate
InChI	InChI=1S/C8H7FO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3
InChI Key	WYSPMXSNCAFCFV-UHFFFAOYSA-N
MDL Number	MFCD09038282
Molecular Formula	C8H7FO3
Molecular Weight	170.1378
SMILES	FC1=C(C(=O)OC)C=CC(=C1)O
Synonyms	METHYL 2-FLUORO-4-HYDROXYBENZOATE, 197507-22-5, 2-FLUORO-4-HYDROXYBENZOIC ACID METHYL ESTER, BENZOIC ACID, 2-FLUORO-4-HYDROXY-, METHYL ESTER, 2-fluoro-4-hydroxy-benzoic acid methyl ester, MFCD09038282, SCHEMBL177038, ACMC-209f18, CTK6J0169, Methyl-2-fluoro4-hydroxybenzoate, DTXSID60625798, Methyl2-Fluoro-4-hydroxybenzoate, methyl-2-fluoro-4-hydroxybenzoate, WYSPMXSNCAFCFV-UHFFFAOYSA-N, ACT09628, KS-000009CM, methyl 2-fluoro-4-hydroxy-benzoate, ANW-23754, CL8539, ZINC47202371, AKOS006331908, AS01245, CM12714, CS-W008400, FS-3143, TRA0002715, AK-41478, BR-41478, CJ-20553, SC-25453, SY024504, 2-Fluoro-4-hyroxybenzoic acid methyl ester, AB0030639, AJ-110630, ST2413299, TC-112499, 4CH-006366, AM20060307, X2848, A-2734, MFCD09038282 (97+%), C8H7FO3,

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	1
Isotope Atom Count	0
Molecular Weight	170.139g/mol
Monoisotopic Mass	170.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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