N1-(4-Bromophenyl)-1,2-benzenediamine - CAS 100953-52-4

Catalog:	BB000399
Product Name:	N1-(4-Bromophenyl)-1,2-benzenediamine
CAS:	100953-52-4
Synonyms:	N2-(4-bromophenyl)benzene-1,2-diamine; 2-N-(4-bromophenyl)benzene-1,2-diamine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-N-(4-bromophenyl)benzene-1,2-diamine
Description:	N1-(4-Bromophenyl)-1,2-benzenediamine (CAS# 100953-52-4 ) is a useful research chemical.
Molecular Weight:	263.13
Molecular Formula:	C12H11BrN2
Canonical SMILES:	C1=CC=C(C(=C1)N)NC2=CC=C(C=C2)Br
InChI:	InChI=1S/C12H11BrN2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,14H2
InChI Key:	LCLAHXCIHJAZIF-UHFFFAOYSA-N
LogP:	4.42910

Publication Number	Title	Priority Date
CN-111747933-A	Substituted 1,3, 5-triazine compound, composition and application thereof	20190329
CN-111747937-A	1,3, 5-triazine compound, composition and application thereof	20190329
WO-2020199996-A1	Substituted 1,3,5-triazine compound, composition and application thereof	20190329
WO-2020199998-A1	1,3,5-triazine compound and composition, and application thereof	20190329
TW-202035377-A	Substituted 1,3,5-triazine compounds, compositions and applications thereof	20190329

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Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.01056
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	262.01056
Rotatable Bond Count:	2
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5