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Home > Nitro Compounds > 87373-60-2
87373-60-2 | 3-Pyridinecarbonitrile, 5-methyl-2-[(4-nitrophenyl)thio]-
CAS No: 87373-60-2 Catalog No: AG004KOE MDL No:
Product Description
Catalog Number:
AG004KOE
Chemical Name:
3-Pyridinecarbonitrile, 5-methyl-2-[(4-nitrophenyl)thio]-
CAS Number:
87373-60-2
Molecular Formula:
C13H9N3O2S
Molecular Weight:
271.2945
IUPAC Name:
5-methyl-2-(4-nitrophenyl)sulfanylpyridine-3-carbonitrile
InChI:
InChI=1S/C13H9N3O2S/c1-9-6-10(7-14)13(15-8-9)19-12-4-2-11(3-5-12)16(17)18/h2-6,8H,1H3
InChI Key:
ZAQBUELCSTWMFY-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cnc1Sc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.294g/mol
Monoisotopic Mass:
271.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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