AG003990

78600-31-4 | 2-Bromotriphenylamine

AG003990

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CAS Number	78600-31-4
Catalog Number	AG003990(AGN-PC-03EBYJ)
Chemical Name	2-Bromotriphenylamine
IUPAC Name	2-bromo-N,N-diphenylaniline
InChI	InChI=1S/C18H14BrN/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChI Key	YPIANBZIVBPMJS-UHFFFAOYSA-N
MDL Number	MFCD23115676
Molecular Formula	C18H14BrN
Molecular Weight	324.2145
SMILES	BrC1=CC=CC=C1N(C2=CC=CC=C2)C3=CC=CC=C3
Synonyms	2-bromo-N,N-diphenylaniline, 78600-31-4, 2-Bromotriphenylamine, 2-Bromo Triphenylamine, Benzenamine, 2-bromo-N,N-diphenyl-, 2-Bromo-N,N-diphenylaniline;Benzenamine, 2-romo-,-iphenyl-, bromotriphenylamine, SCHEMBL1168198, 2-bromo-N,N-diphenylbenzenamine, DTXSID80616860, ADAL1012800, MFCD23115676, ZINC95935131, AKOS027320644, QC-8430, KS-00000Q48, AK307943, DA-03316, DS-11430, AX8232201, B4008, FT-0735959, ACN-048555,

Complexity	263
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	323.031g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	324.221g/mol
Monoisotopic Mass	323.031g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	3.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number