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89247-25-6 | 3-Pyridinecarbonitrile, 6-chloro-4-(3,4-dimethylphenoxy)-5-nitro-
CAS No: 89247-25-6 Catalog No: AG0043V1 MDL No:
Product Description
Catalog Number:
AG0043V1
Chemical Name:
3-Pyridinecarbonitrile, 6-chloro-4-(3,4-dimethylphenoxy)-5-nitro-
CAS Number:
89247-25-6
Molecular Formula:
C14H10ClN3O3
Molecular Weight:
303.7005
IUPAC Name:
6-chloro-4-(3,4-dimethylphenoxy)-5-nitropyridine-3-carbonitrile
InChI:
InChI=1S/C14H10ClN3O3/c1-8-3-4-11(5-9(8)2)21-13-10(6-16)7-17-14(15)12(13)18(19)20/h3-5,7H,1-2H3
InChI Key:
HJYMUUWMCMQNJE-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(c(c1Oc1ccc(c(c1)C)C)[N+](=O)[O-])Cl
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.702g/mol
Monoisotopic Mass:
303.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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