CAS 28169-46-2 | Benzoic acid, 2-methyl-3,5-dinitro- | CAS Number 28169-46-2

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Nitro Compounds > 28169-46-2

28169-46-2 | Benzoic acid, 2-methyl-3,5-dinitro-

CAS No: 28169-46-2 Catalog No: AG00IKFH MDL No:MFCD00007161

Product Description

Catalog Number:

AG00IKFH

Chemical Name:

Benzoic acid, 2-methyl-3,5-dinitro-

CAS Number:

28169-46-2

Molecular Formula:

C8H6N2O6

Molecular Weight:

226.1430

MDL Number:

MFCD00007161

IUPAC Name:

2-methyl-3,5-dinitrobenzoic acid

InChI:

InChI=1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)

InChI Key:

CDVNZMKTJIBBBV-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])C

EC Number:

248-880-7

UNII:

025937BG8P

NSC Number:

168527

Properties

Complexity:

320

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.144g/mol

Monoisotopic Mass:

226.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

129A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
catena-Poly[(diaqua-strontium)-bis-(μ-2-methyl-3,5-dinitro-benzoato)].	Acta crystallographica. Section E, Structure reports online 20110901
(Dimethyl sulfoxide-κO)trimeth-yl(2-methyl-3,5-dinitro-benzoato-κO)tin(IV).	Acta crystallographica. Section E, Structure reports online 20110701
catena-Poly[bis-(μ(3)-2-methyl-3,5-dinitro-benzoato)disilver(I)].	Acta crystallographica. Section E, Structure reports online 20110701
Poly[(μ(6)-2-methyl-3,5-dinitro-benzoato)potassium].	Acta crystallographica. Section E, Structure reports online 20100601
catena-Poly[[(2-methyl-benzoato-κO,O')sodium]-di-μ-aqua-κO:O'].	Acta crystallographica. Section E, Structure reports online 20100401
Methyl 2-methyl-3,5-dinitro-benzoate.	Acta crystallographica. Section E, Structure reports online 20100201
2-Methyl-3,5-dinitro-benzoic acid.	Acta crystallographica. Section E, Structure reports online 20091101