CAS 1575-37-7|4-bromobenzene-1,2-diamine|4-bromobenzene-1,2-diamine|2-Amino-4-bromophenylamine|4-bromo-1,2-benzenediamine|4-Bromobenzene-1,2-diamine|4-Bromophenylene-1,2-diamine|3,4-Diaminobromobenz...

General Information

Structure

Molecular Formula

C₆H₇BrN₂

Molecular Mass

187.03718

Exact Mass

185.97926023

Charge

InChI

InChI=1S/C6H7BrN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2

InChIKey

WIHHVKUARKTSBU-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc(c(c1)N)N

Isomeric Smiles

c1(cc(ccc1N)Br)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.0745878

LogD (pH = 7.4)

1.0840249

Log P

1.0841465

Molar Refractivity

43.0816

Polarizability

15.4387665

Polar Surface Area

52.04

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4-bromobenzene-1,2-diamine

Synonyms

2-Amino-4-bromophenylamine4-bromo-1,2-benzenediamine4-Bromophenylene-1,2-diamine3,4-Diaminobromobenzene4-Bromobenzene-1,2-diamine4-溴-1,2-苯二胺3,4-二氨基溴苯4-Bromo-1,2-diaminobenzene4-Bromo-o-phenylenediamine4-溴-邻苯二胺4-Bromo-2-aminoaniline4-Bromo-1,2-diaminobenzene4-Bromo-o-phenylenediamine

IUPAC Traditional name

4-bromobenzene-1,2-diamine

Names and Identifiers

Registration numbers

PubChem SID

MDL Number

CAS Number

PubChem CID