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Home > Nitro Compounds > 797019-76-2
797019-76-2 | Propanamide, N-(3-cyano-4-nitrophenyl)-2-methyl-
CAS No: 797019-76-2 Catalog No: AG0050UP MDL No:
Product Description
Catalog Number:
AG0050UP
Chemical Name:
Propanamide, N-(3-cyano-4-nitrophenyl)-2-methyl-
CAS Number:
797019-76-2
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
IUPAC Name:
N-(3-cyano-4-nitrophenyl)-2-methylpropanamide
InChI:
InChI=1S/C11H11N3O3/c1-7(2)11(15)13-9-3-4-10(14(16)17)8(5-9)6-12/h3-5,7H,1-2H3,(H,13,15)
InChI Key:
BFDNECQNPKOILO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1[N+](=O)[O-])NC(=O)C(C)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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