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144336-23-2 | Benzene, (dinitronitrosomethyl)-
CAS No: 144336-23-2 Catalog No: AG001JD8 MDL No:
Product Description
Catalog Number:
AG001JD8
Chemical Name:
Benzene, (dinitronitrosomethyl)-
CAS Number:
144336-23-2
Molecular Formula:
C7H5N3O5
Molecular Weight:
211.1317
IUPAC Name:
[dinitro(nitroso)methyl]benzene
InChI:
InChI=1S/C7H5N3O5/c11-8-7(9(12)13,10(14)15)6-4-2-1-3-5-6/h1-5H
InChI Key:
KPUVVMMYKOBREZ-UHFFFAOYSA-N
SMILES:
O=NC(c1ccccc1)([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.133g/mol
Monoisotopic Mass:
211.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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