AG00FBCV

72235-54-2 | Benzenemethanamine, 2-​chloro-​3-​fluoro-

AG00FBCV

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CAS Number	72235-54-2
Catalog Number	AG00FBCV(AGN-PC-0WA6DM)
Chemical Name	Benzenemethanamine, 2-​chloro-​3-​fluoro-
IUPAC Name	(2-chloro-3-fluorophenyl)methanamine
InChI	InChI=1S/C7H7ClFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H,4,10H2
InChI Key	DTNYGEBHHWVMBK-UHFFFAOYSA-N
MDL Number	MFCD10687077
Molecular Formula	C7H7ClFN
Molecular Weight	159.5886
SMILES	C(N)c1c(Cl)c(F)ccc1
Synonyms	72235-54-2, (2-Chloro-3-fluorophenyl)methanamine, 2-Chloro-3-fluorobenzylamine, 2-CHLORO-3-FLUORO-BENZYLAMINE, 2-Chloro-3-fluorobenzyl amine, 2-chloro,3-fluorobenzylamine, KSC494C9F, SCHEMBL210553, CTK3J4192, DTXSID90679340, DTNYGEBHHWVMBK-UHFFFAOYSA-N, 2-Chloro-3-fluorobenzenemethanamine, ANW-44035, CL8675, MFCD10687077, ZINC44172048, (2-chloro-3-fluoro-phenyl)methanamine, AKOS006305297, AM83166, AS02247, 1-(2-Chloro-3-fluorophenyl)methanamine, Benzenemethanamine, 2-chloro-3-fluoro-, AN-16378, AS-46071, SC-41292, AB0034249, AJ-109479, RT-001911, 4CH-011814, FT-0715665, ST24020190, X8371, J-508653, C7H7ClFN,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.025g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	159.588g/mol
Monoisotopic Mass	159.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2735

Certificate of Analysis

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