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Home > Nitro Compounds > 18292-97-2
18292-97-2 | Benzene, 2-methyl-1,3,4-trinitro-
CAS No: 18292-97-2 Catalog No: AG00249L MDL No:
Product Description
Catalog Number:
AG00249L
Chemical Name:
Benzene, 2-methyl-1,3,4-trinitro-
CAS Number:
18292-97-2
Molecular Formula:
C7H5N3O6
Molecular Weight:
227.1311
IUPAC Name:
2-methyl-1,3,4-trinitrobenzene
InChI:
InChI=1S/C7H5N3O6/c1-4-5(8(11)12)2-3-6(9(13)14)7(4)10(15)16/h2-3H,1H3
InChI Key:
LFCALAUEQXYQIV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])[N+](=O)[O-]
UNII:
VB65AU8340
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.132g/mol
Monoisotopic Mass:
227.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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