CAS 24577-68-2 | Benzenemethanol, 2,4,6-trinitro- | CAS Number 24577-68-2

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24577-68-2 | Benzenemethanol, 2,4,6-trinitro-

CAS No: 24577-68-2 Catalog No: AG002ON2 MDL No:

Product Description

Catalog Number:

AG002ON2

Chemical Name:

Benzenemethanol, 2,4,6-trinitro-

CAS Number:

24577-68-2

Molecular Formula:

C7H5N3O7

Molecular Weight:

243.1305

IUPAC Name:

(2,4,6-trinitrophenyl)methanol

InChI:

InChI=1S/C7H5N3O7/c11-3-5-6(9(14)15)1-4(8(12)13)2-7(5)10(16)17/h1-2,11H,3H2

InChI Key:

IFNVWRBEJGYFNL-UHFFFAOYSA-N

SMILES:

OCc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

EC Number:

246-327-4

Properties

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.131g/mol

Monoisotopic Mass:

243.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

158A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Denitration of 2,4,6-trinitrotoluene in aqueous solutions using small-molecular-weight catalyst(s) secreted by Pseudomonas aeruginosa ESA-5.	Environmental science & technology 20090315
Catalytic oxidation of TNT by activated carbon.	Chemosphere 20020401