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Home > Nitro Compounds > 87373-63-5
87373-63-5 | 3-Pyridinecarbonitrile, 5-formyl-2-[(4-nitrophenyl)thio]-
CAS No: 87373-63-5 Catalog No: AG004KOC MDL No:
Product Description
Catalog Number:
AG004KOC
Chemical Name:
3-Pyridinecarbonitrile, 5-formyl-2-[(4-nitrophenyl)thio]-
CAS Number:
87373-63-5
Molecular Formula:
C13H7N3O3S
Molecular Weight:
285.2780
IUPAC Name:
5-formyl-2-(4-nitrophenyl)sulfanylpyridine-3-carbonitrile
InChI:
InChI=1S/C13H7N3O3S/c14-6-10-5-9(8-17)7-15-13(10)20-12-3-1-11(2-4-12)16(18)19/h1-5,7-8H
InChI Key:
WCAPCCFLZPEDER-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C=O)cnc1Sc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.021g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.277g/mol
Monoisotopic Mass:
285.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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