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Home > Nitro Compounds > 897359-60-3
897359-60-3 | 2-Pyridinecarbonitrile, 6-(3,4-dimethoxyphenyl)-3-nitro-
CAS No: 897359-60-3 Catalog No: AG0041PJ MDL No:
Product Description
Catalog Number:
AG0041PJ
Chemical Name:
2-Pyridinecarbonitrile, 6-(3,4-dimethoxyphenyl)-3-nitro-
CAS Number:
897359-60-3
Molecular Formula:
C14H11N3O4
Molecular Weight:
285.2548
IUPAC Name:
6-(3,4-dimethoxyphenyl)-3-nitropyridine-2-carbonitrile
InChI:
InChI=1S/C14H11N3O4/c1-20-13-6-3-9(7-14(13)21-2)10-4-5-12(17(18)19)11(8-15)16-10/h3-7H,1-2H3
InChI Key:
KSAFVSRGKAEGCV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)c1ccc(c(n1)C#N)[N+](=O)[O-]
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.259g/mol
Monoisotopic Mass:
285.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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