AG003RXR

391-92-4 | Benzoic acid, 5-​fluoro-​2-​hydroxy-​, methyl ester

AG003RXR

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CAS Number	391-92-4
Catalog Number	AG003RXR(AGN-PC-0KL269)
Chemical Name	Benzoic acid, 5-​fluoro-​2-​hydroxy-​, methyl ester
IUPAC Name	methyl 5-fluoro-2-hydroxybenzoate
InChI	InChI=1S/C8H7FO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
InChI Key	DGHBWVVOJLVMFF-UHFFFAOYSA-N
MDL Number	MFCD03427141
Molecular Formula	C8H7FO3
Molecular Weight	170.1378
SMILES	C(=O)(OC)c1c(O)ccc(c1)F
Synonyms	Methyl 5-fluoro-2-hydroxybenzoate, 391-92-4, 5-Fluoro-2-hydroxy-benzoic acid methyl ester, Methyl 5-fluorosalicylate, 5-fluoro-2-hydroxybenzoic acid methyl ester, Benzoic acid, 5-fluoro-2-hydroxy-, methyl ester, PubChem4087, ACMC-20a2ab, AC1MD3YH, SCHEMBL1367028, RARECHEM AL BF 0856, CTK4I1074, DTXSID40382493, DGHBWVVOJLVMFF-UHFFFAOYSA-N, WT521, ZINC404176, 4-Fluoro-2-(methoxycarbonyl)phenol, 5-fluorosalicylic acid methyl ester, KS-00000GM7, 5113AB, ANW-53889, MFCD03427141, SBB064670, AKOS015890199, AS00902, CS-W005914, methyl 5-fluoranyl-2-oxidanyl-benzoate, PS-8704, AJ-22262, AK-81427, Methyl 5-fluoro-2-hydroxybenzoate, 97%, SC-04104, DB-069776, TC-142634, 2-Hydroxy-5-fluorobenzoic acid methyl ester, AM20040353, FT-0649395, ST24047997, TL80090160, 391-92-4 methyl 5-fluoro-2-hydroxybenzoate, Benzoic acid,5-fluoro-2-hydroxy-, methyl ester, A824451, I01-5409, C8H7FO3, ZINC00404176, CID2783186,

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	2.4

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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