CAS 49764-63-8 | 4,5-Dibromobenzene-1,2-diamine | CAS Number 49764-63-8

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49764-63-8 | 4,5-Dibromobenzene-1,2-diamine

CAS No: 49764-63-8 Catalog No: AG0037SW MDL No:MFCD00795598

Product Description

Catalog Number:

AG0037SW

Chemical Name:

4,5-Dibromobenzene-1,2-diamine

CAS Number:

49764-63-8

Molecular Formula:

C6H6Br2N2

Molecular Weight:

265.9332

MDL Number:

MFCD00795598

IUPAC Name:

4,5-dibromobenzene-1,2-diamine

InChI:

InChI=1S/C6H6Br2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

InChI Key:

TTXGKCVKGXHPRI-UHFFFAOYSA-N

SMILES:

Nc1cc(Br)c(cc1N)Br

Properties

Complexity:

106

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.888g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.936g/mol

Monoisotopic Mass:

263.89g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
{2,2'-[4,5-Dibromo-o-phenyl-enebis(nitrilo-dimethyl-idyne)]diphenolato-κO,N,N',O'}(methanol-κO)copper(II).	Acta crystallographica. Section E, Structure reports online 20090401
(E)-2-[(2-Amino-4,5-dibromo-phen-yl)imino-meth-yl]-6-methoxy-phenol.	Acta crystallographica. Section E, Structure reports online 20090201