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Home > Nitro Compounds > 72115-08-3
72115-08-3 | 3-CYANO-4-NITROANILINE
CAS No: 72115-08-3 Catalog No: AG005K54 MDL No:
Product Description
Catalog Number:
AG005K54
Chemical Name:
3-CYANO-4-NITROANILINE
CAS Number:
72115-08-3
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
IUPAC Name:
5-amino-2-nitrobenzonitrile
InChI:
InChI=1S/C7H5N3O2/c8-4-5-3-6(9)1-2-7(5)10(11)12/h1-3H,9H2
InChI Key:
GMBUMPQPCQSHHG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1[N+](=O)[O-]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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