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21134-98-5 | 1,2,4-Triazine, 6-phenyl-
CAS No: 21134-98-5 Catalog No: AG002LBH MDL No:
Product Description
Catalog Number:
AG002LBH
Chemical Name:
1,2,4-Triazine, 6-phenyl-
CAS Number:
21134-98-5
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
IUPAC Name:
6-phenyl-1,2,4-triazine
InChI:
InChI=1S/C9H7N3/c1-2-4-8(5-3-1)9-6-10-7-11-12-9/h1-7H
InChI Key:
CBEUTJXRHBGFOD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cncnn1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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