AG003SRA

213814-61-0 | N-Benzyl-3-bromoaniline

AG003SRA

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CAS Number	213814-61-0
Catalog Number	AG003SRA(AGN-PC-0MWFKO)
Chemical Name	N-Benzyl-3-bromoaniline
IUPAC Name	N-benzyl-3-bromoaniline
InChI	InChI=1S/C13H12BrN/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChI Key	NUZUUCXESJBUMX-UHFFFAOYSA-N
MDL Number	MFCD11145017
Molecular Formula	C13H12BrN
Molecular Weight	262.1451
SMILES	BrC1=CC(NCC2=CC=CC=C2)=CC=C1
Synonyms	N-Benzyl-3-bromoaniline, 213814-61-0, Benzenemethanamine, N-(3-bromophenyl)-, N-(3-bromophenyl)benzylamine, 3-bromo-N-(benzyl)aniline, Benzyl-(3-bromo-phenyl)-amine, SCHEMBL1965560, CTK0J7637, DTXSID40433434, NUZUUCXESJBUMX-UHFFFAOYSA-N, (3-bromophenyl)(phenyl)methylamine, ZINC8701792, 7221AJ, MFCD11145017, AKOS000241097, Benzenemethanamine,N-(3-bromophenyl)-, TRA0045972, KS-000009W2, AJ-58561, AS-32153, CJ-13513, DA-18227, DA-19022, SC-45774, SY019152, TC-308671, FT-0708449, K-6122, MFCD11145017 (97+%), N-benzyl-3-bromo-aniline, C13H12BrN, ACN-042545, CID9965096, 3179-63-3, 55095-16-4,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.015g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.15g/mol
Monoisotopic Mass	261.015g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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