AG00GTFX

88280-58-4 | 3-Bromo-N-phenylbenzenamine

AG00GTFX

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CAS Number	88280-58-4
Catalog Number	AG00GTFX(AGN-PC-003491)
Chemical Name	3-Bromo-N-phenylbenzenamine
IUPAC Name	3-bromo-N-phenylaniline
InChI	InChI=1S/C12H10BrN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
InChI Key	IXTBFWCKFRFDOO-UHFFFAOYSA-N
MDL Number	MFCD07369780
Molecular Formula	C12H10BrN
Molecular Weight	248.1185
SMILES	BrC1=CC(NC2=CC=CC=C2)=CC=C1
Synonyms	3-bromo-N-phenylaniline, 3-Bromodiphenylamine, 88280-58-4, 3-bromo-N-phenylBenzenamine, 3-BROMODIPHENYLAMINE97, N-(3-Bromophenyl)aniline, N-(3-bromophenyl)-aniline, 3-Bromodiphenylamine, 97%, SCHEMBL72905, N-(3-bromophenyl)benzenamine, Benzenamine, 3-bromo-N-phenyl-, DTXSID30566088, IXTBFWCKFRFDOO-UHFFFAOYSA-N, ZINC12956280, AKOS030639993, MCULE-6635498218, NE45901, DA-01917, FT-0761057, Z1723549379,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.123g/mol
Monoisotopic Mass	247g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H318-H335-H411
Packing Group
Precautionary statements	P261-P273-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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