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Home > Nitro Compounds > 1192263-84-5
1192263-84-5 | 3,4-dinitrosobenzonitrile
CAS No: 1192263-84-5 Catalog No: AG00IUU3 MDL No:MFCD13193098
Product Description
Catalog Number:
AG00IUU3
Chemical Name:
3,4-dinitrosobenzonitrile
CAS Number:
1192263-84-5
Molecular Formula:
C7H3N3O2
Molecular Weight:
161.1176
MDL Number:
MFCD13193098
IUPAC Name:
3,4-dinitrosobenzonitrile
InChI:
InChI=1S/C7H3N3O2/c8-4-5-1-2-6(9-11)7(3-5)10-12/h1-3H
InChI Key:
LADGBQYIOVAFJN-UHFFFAOYSA-N
SMILES:
O=Nc1cc(C#N)ccc1N=O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.12g/mol
Monoisotopic Mass:
161.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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