CAS 3460-18-2 | 1,4-Dibromo-2-nitrobenzene | CAS Number 3460-18-2

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3460-18-2 | 1,4-Dibromo-2-nitrobenzene

CAS No: 3460-18-2 Catalog No: AG003FWU MDL No:MFCD00007046

Product Description

Catalog Number:

AG003FWU

Chemical Name:

1,4-Dibromo-2-nitrobenzene

CAS Number:

3460-18-2

Molecular Formula:

C6H3Br2NO2

Molecular Weight:

280.9015

MDL Number:

MFCD00007046

IUPAC Name:

1,4-dibromo-2-nitrobenzene

InChI:

InChI=1S/C6H3Br2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

InChI Key:

WRGKKASJBOREMB-UHFFFAOYSA-N

SMILES:

Brc1ccc(c(c1)[N+](=O)[O-])Br

EC Number:

222-404-8

Properties

Complexity:

159

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.851g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.903g/mol

Monoisotopic Mass:

278.853g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis of N,N-dimethyl-2-(2-amino-4-[18F]fluorophenylthio)benzylamine as a serotonin transporter imaging agent.	Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20030201