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89247-18-7 | 3-Pyridinecarbonitrile, 6-chloro-4-(3-methylphenoxy)-5-nitro-
CAS No: 89247-18-7 Catalog No: AG0043V3 MDL No:
Product Description
Catalog Number:
AG0043V3
Chemical Name:
3-Pyridinecarbonitrile, 6-chloro-4-(3-methylphenoxy)-5-nitro-
CAS Number:
89247-18-7
Molecular Formula:
C13H8ClN3O3
Molecular Weight:
289.6739
IUPAC Name:
6-chloro-4-(3-methylphenoxy)-5-nitropyridine-3-carbonitrile
InChI:
InChI=1S/C13H8ClN3O3/c1-8-3-2-4-10(5-8)20-12-9(6-15)7-16-13(14)11(12)17(18)19/h2-5,7H,1H3
InChI Key:
HHNCCXAKMCSPSX-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(c(c1Oc1cccc(c1)C)[N+](=O)[O-])Cl
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.025g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.675g/mol
Monoisotopic Mass:
289.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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