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Home > Nitro Compounds > 4248-33-3
4248-33-3 | 3,4-DINITROBENZONITRILE
CAS No: 4248-33-3 Catalog No: AG003IJ0 MDL No:MFCD00013370
Product Description
Catalog Number:
AG003IJ0
Chemical Name:
3,4-DINITROBENZONITRILE
CAS Number:
4248-33-3
Molecular Formula:
C7H3N3O4
Molecular Weight:
193.1164
MDL Number:
MFCD00013370
IUPAC Name:
3,4-dinitrobenzonitrile
InChI:
InChI=1S/C7H3N3O4/c8-4-5-1-2-6(9(11)12)7(3-5)10(13)14/h1-3H
InChI Key:
QXFXDEHCVXHEBX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.118g/mol
Monoisotopic Mass:
193.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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