CAS 90407-21-9 | 2-Bromo-3-nitrobenzaldehyde | CAS Number 90407-21-9

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90407-21-9 | 2-Bromo-3-nitrobenzaldehyde

CAS No: 90407-21-9 Catalog No: AG006QL6 MDL No:MFCD15527595

Product Description

Catalog Number:

AG006QL6

Chemical Name:

2-Bromo-3-nitrobenzaldehyde

CAS Number:

90407-21-9

Molecular Formula:

C7H4BrNO3

Molecular Weight:

230.0156

MDL Number:

MFCD15527595

IUPAC Name:

2-bromo-3-nitrobenzaldehyde

InChI:

InChI=1S/C7H4BrNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H

InChI Key:

ZAYPDOMLBUBLDN-UHFFFAOYSA-N

SMILES:

O=Cc1cccc(c1Br)[N+](=O)[O-]

Properties

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.937g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.017g/mol

Monoisotopic Mass:

228.937g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Synthesis of cyclic selenenate/seleninate esters stabilized by ortho-nitro coordination: their glutathione peroxidase-like activities.	Chemistry, an Asian journal 20110606
2-Bromo-3-nitro-benzaldehyde.	Acta crystallographica. Section E, Structure reports online 20091101