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Home > Nitro Compounds > 94398-02-4
94398-02-4 | 3,5-Pyridinedicarbonitrile, 2,6-dimethyl-4-(2-nitrophenyl)-
CAS No: 94398-02-4 Catalog No: AG00H7KV MDL No:
Product Description
Catalog Number:
AG00H7KV
Chemical Name:
3,5-Pyridinedicarbonitrile, 2,6-dimethyl-4-(2-nitrophenyl)-
CAS Number:
94398-02-4
Molecular Formula:
C15H10N4O2
Molecular Weight:
278.2655
IUPAC Name:
2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C15H10N4O2/c1-9-12(7-16)15(13(8-17)10(2)18-9)11-5-3-4-6-14(11)19(20)21/h3-6H,1-2H3
InChI Key:
MAGGLMPGYBCPIG-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nc(c(c1c1ccccc1[N+](=O)[O-])C#N)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.271g/mol
Monoisotopic Mass:
278.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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