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Home > Nitro Compounds > 77326-60-4
77326-60-4 | Acetamide,N-(2-cyano-3-nitrophenyl)-
CAS No: 77326-60-4 Catalog No: AG005NPL MDL No:
Product Description
Catalog Number:
AG005NPL
Chemical Name:
Acetamide,N-(2-cyano-3-nitrophenyl)-
CAS Number:
77326-60-4
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
IUPAC Name:
N-(2-cyano-3-nitrophenyl)acetamide
InChI:
InChI=1S/C9H7N3O3/c1-6(13)11-8-3-2-4-9(12(14)15)7(8)5-10/h2-4H,1H3,(H,11,13)
InChI Key:
NXJRWCOJJBCFSL-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1[N+](=O)[O-])NC(=O)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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