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Home > Nitro Compounds > 67438-96-4
67438-96-4 | 3,5-Pyridinedicarbonitrile, 1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-
CAS No: 67438-96-4 Catalog No: AG005O40 MDL No:MFCD01249690
Product Description
Catalog Number:
AG005O40
Chemical Name:
3,5-Pyridinedicarbonitrile, 1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-
CAS Number:
67438-96-4
Molecular Formula:
C15H12N4O2
Molecular Weight:
280.2814
MDL Number:
MFCD01249690
IUPAC Name:
2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C15H12N4O2/c1-9-13(7-16)15(14(8-17)10(2)18-9)11-3-5-12(6-4-11)19(20)21/h3-6,15,18H,1-2H3
InChI Key:
GHHCDXCIGHDXQB-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)NC(=C(C1c1ccc(cc1)[N+](=O)[O-])C#N)C
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.287g/mol
Monoisotopic Mass:
280.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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