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190711-23-0 | 1,2,4-Triazine-5-carbonitrile, 6-phenyl-
CAS No: 190711-23-0 Catalog No: AG002ER1 MDL No:
Product Description
Catalog Number:
AG002ER1
Chemical Name:
1,2,4-Triazine-5-carbonitrile, 6-phenyl-
CAS Number:
190711-23-0
Molecular Formula:
C10H6N4
Molecular Weight:
182.1814
IUPAC Name:
6-phenyl-1,2,4-triazine-5-carbonitrile
InChI:
InChI=1S/C10H6N4/c11-6-9-10(14-13-7-12-9)8-4-2-1-3-5-8/h1-5,7H
InChI Key:
WSHBFNUXENESLI-UHFFFAOYSA-N
SMILES:
N#Cc1ncnnc1c1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.186g/mol
Monoisotopic Mass:
182.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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