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Home > Nitro Compounds > 927700-31-0
927700-31-0 | 1-(2-cyano-4-nitrophenyl)-4-piperidinecarboxamide
CAS No: 927700-31-0 Catalog No: AG00J72I MDL No:MFCD04533558
Product Description
Catalog Number:
AG00J72I
Chemical Name:
1-(2-cyano-4-nitrophenyl)-4-piperidinecarboxamide
CAS Number:
927700-31-0
Molecular Formula:
C13H14N4O3
Molecular Weight:
274.2753
MDL Number:
MFCD04533558
IUPAC Name:
1-(2-cyano-4-nitrophenyl)piperidine-4-carboxamide
InChI:
InChI=1S/C13H14N4O3/c14-8-10-7-11(17(19)20)1-2-12(10)16-5-3-9(4-6-16)13(15)18/h1-2,7,9H,3-6H2,(H2,15,18)
InChI Key:
NHNYKBVVJHRKCK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N1CCC(CC1)C(=O)N)[N+](=O)[O-]
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.28g/mol
Monoisotopic Mass:
274.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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