AG003RS8

455-68-5 | Methyl 3-Fluorobenzoate

AG003RS8

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CAS Number	455-68-5
Catalog Number	AG003RS8(AGN-PC-0JS9WH)
Chemical Name	Methyl 3-Fluorobenzoate
EC Number	610-262-3
IUPAC Name	methyl 3-fluorobenzoate
InChI	InChI=1S/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChI Key	YXZNVLYXBIIIOB-UHFFFAOYSA-N
MDL Number	MFCD03094302
Molecular Formula	C8H7FO2
Molecular Weight	154.1384
SMILES	FC1=CC=CC(=C1)C(=O)OC
Synonyms	Methyl 3-fluorobenzoate, 455-68-5, methyl3-fluorobenzoate, benzoic acid, 3-fluoro-, methyl ester, 3-Fluorobenzoic acid, methyl ester, 3-fluorobenzoic acid methyl ester, YXZNVLYXBIIIOB-UHFFFAOYSA-N, methyl m-fluorobenzoate, Methyl-3-fluorobenzoate, AC1LAV8W, methyl 3-fluoranylbenzoate, Methyl 3-fluorobenzoate #, KSC235K1B, 3-F-C6H4-COOCH3, SCHEMBL1056526, CTK1D5510, DTXSID00334579, KS-00000BJ8, ZINC2243207, ANW-50403, MFCD03094302, SBB065039, AKOS008904748, CS-W019585, PS-8879, RTR-036829, TRA0035285, VZ32601, AJ-34240, AK-47674, AN-45020, BR-47674, CJ-07995, I514, SY012475, AB0013736, TR-036829, FT-0651783, ST24031038, MFCD03094302 (97%), M-3119, A826846, I01-6784, InChI=1/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H, C8H7FO2, CID521184,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.14g/mol
Monoisotopic Mass	154.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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