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142076-88-8 | 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-
CAS No: 142076-88-8 Catalog No: AG001HP2 MDL No:
Product Description
Catalog Number:
AG001HP2
Chemical Name:
5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-
CAS Number:
142076-88-8
Molecular Formula:
C12H8ClN3
Molecular Weight:
229.6650
IUPAC Name:
4-chloro-2-methyl-6-phenylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C12H8ClN3/c1-8-15-11(9-5-3-2-4-6-9)10(7-14)12(13)16-8/h2-6H,1H3
InChI Key:
RYHMZVJEQWNKQT-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc(nc1c1ccccc1)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.667g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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