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84596-24-7 | 3-Pyridinecarbonitrile, 2-chloro-4,6-dimethyl-5-phenyl-
CAS No: 84596-24-7 Catalog No: AG004QC9 MDL No:
Product Description
Catalog Number:
AG004QC9
Chemical Name:
3-Pyridinecarbonitrile, 2-chloro-4,6-dimethyl-5-phenyl-
CAS Number:
84596-24-7
Molecular Formula:
C14H11ClN2
Molecular Weight:
242.7035
IUPAC Name:
2-chloro-4,6-dimethyl-5-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C14H11ClN2/c1-9-12(8-16)14(15)17-10(2)13(9)11-6-4-3-5-7-11/h3-7H,1-2H3
InChI Key:
PLRMQQVJSUKPPS-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc(c(c1C)c1ccccc1)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.706g/mol
Monoisotopic Mass:
242.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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