Name: Name:Benzoic acid, 5-chloro-2,4-dinitro-
Brand: Angene
SKU: AG0012FF
Rating: 90 (10 reviews)

Benzoic acid, 5-chloro-2,4-dinitro-

CAS No.:

136833-36-8

Catalog Number:

AG0012FF

Molecular Formula:

C7H3ClN2O6

Molecular Weight:

246.5615

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Product Description

Catalog Number:

AG0012FF

Chemical Name:

Benzoic acid, 5-chloro-2,4-dinitro-

CAS Number:

136833-36-8

Molecular Formula:

C7H3ClN2O6

Molecular Weight:

246.5615

MDL Number:

MFCD00091829

IUPAC Name:

5-chloro-2,4-dinitrobenzoic acid

InChI:

InChI=1S/C7H3ClN2O6/c8-4-1-3(7(11)12)5(9(13)14)2-6(4)10(15)16/h1-2H,(H,11,12)

InChI Key:

VVQOEJCXWMGEJG-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc([N+](=O)[O-])c(cc1C(=O)O)Cl

Properties

Complexity:

324

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.968g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.559g/mol

Monoisotopic Mass:

245.968g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

129A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and structure-activity relationships for 2,4-dinitrobenzamide-5-mustards as prodrugs for the Escherichia coli nfsB nitroreductase in gene therapy.	Journal of medicinal chemistry 20070322

Properties