CAS 10199-85-6 | Benzene, 1,3-dichloro-2,4-dinitro- | CAS Number 10199-85-6

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10199-85-6 | Benzene, 1,3-dichloro-2,4-dinitro-

CAS No: 10199-85-6 Catalog No: AG00066R MDL No:MFCD00823272

Product Description

Catalog Number:

AG00066R

Chemical Name:

Benzene, 1,3-dichloro-2,4-dinitro-

CAS Number:

10199-85-6

Molecular Formula:

C6H2Cl2N2O4

Molecular Weight:

236.9971

MDL Number:

MFCD00823272

IUPAC Name:

1,3-dichloro-2,4-dinitrobenzene

InChI:

InChI=1S/C6H2Cl2N2O4/c7-3-1-2-4(9(11)12)5(8)6(3)10(13)14/h1-2H

InChI Key:

CPKWWONSNNHLAN-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(c(c1Cl)[N+](=O)[O-])Cl

Properties

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.939g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.992g/mol

Monoisotopic Mass:

235.939g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Suppression of oxidative stress by grape seed supplementation in rats.	Nutrition research and practice 20120201
Immunomodulatory effects of low-intensity near-infrared laser irradiation on contact hypersensitivity reaction.	Photodermatology, photoimmunology & photomedicine 20030801