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Home > Nitro Compounds > 7077-65-8
7077-65-8 | 4-(dicyanomethyl)nitrobenzene
CAS No: 7077-65-8 Catalog No: AG005G5X MDL No:
Product Description
Catalog Number:
AG005G5X
Chemical Name:
4-(dicyanomethyl)nitrobenzene
CAS Number:
7077-65-8
Molecular Formula:
C9H5N3O2
Molecular Weight:
187.1549
IUPAC Name:
2-(4-nitrophenyl)propanedinitrile
InChI:
InChI=1S/C9H5N3O2/c10-5-8(6-11)7-1-3-9(4-2-7)12(13)14/h1-4,8H
InChI Key:
HXEPLLFRQAVQQJ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)[N+](=O)[O-])C#N
NSC Number:
87092
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.158g/mol
Monoisotopic Mass:
187.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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