AG003J9D

90390-33-3 | 3-Chloro-5-fluorobenzylamine

AG003J9D

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CAS Number	90390-33-3
Catalog Number	AG003J9D(AGN-PC-0JRG8U)
Chemical Name	3-Chloro-5-fluorobenzylamine
IUPAC Name	(3-chloro-5-fluorophenyl)methanamine
InChI	InChI=1S/C7H7ClFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2
InChI Key	XJCYOVBALKWQQC-UHFFFAOYSA-N
MDL Number	MFCD06213787
Molecular Formula	C7H7ClFN
Molecular Weight	159.5886
SMILES	NCC1=CC(F)=CC(Cl)=C1
Synonyms	3-Chloro-5-fluorobenzylamine, 90390-33-3, Benzenemethanamine, 3-chloro-5-fluoro-, (3-chloro-5-fluorophenyl)methanamine, 3-Chloro-5-fluoro benzylamine, MFCD06213787, AC1L9WY4, 3-Chloro-5-fluoro-benzylamine, 3-Chloro-5-fluorobenzyl amine, SCHEMBL1765201, CHEMBL1178115, CTK5G7789, DTXSID30238152, XJCYOVBALKWQQC-UHFFFAOYSA-N, JRD-1617, KS-000009JM, ZINC6524441, BBL103094, CL8905, SBB087396, STL556904, (5-chloro-3-fluorophenyl)methylamine, (3-chloro-5-fluoro-phenyl)methanamine, AKOS005255552, AB23446, TRA0081569, 3-Chloro-5-fluorobenzylamine, AldrichCPR, AK208987, AS-46133, SC-26342, SY023211, AB0034278, TR-028420, 3-CHLORO-5-FLUORO-BENZENEMETHANAMINE, X8401, 1-(3-CHLORO-5-FLUOROPHENYL)METHANAMINE, Z-3405, MFCD06213787 (95+%), Benzylamine der, C7H7ClFN, AIDS011121, CID457616,

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-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2735

Certificate of Analysis

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