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81817-14-3 | 1,2,4-Benzotriazine, 7-methyl-3-phenyl-
CAS No: 81817-14-3 Catalog No: AG005HUF MDL No:
Product Description
Catalog Number:
AG005HUF
Chemical Name:
1,2,4-Benzotriazine, 7-methyl-3-phenyl-
CAS Number:
81817-14-3
Molecular Formula:
C14H11N3
Molecular Weight:
221.2572
IUPAC Name:
7-methyl-3-phenyl-1,2,4-benzotriazine
InChI:
InChI=1S/C14H11N3/c1-10-7-8-12-13(9-10)16-17-14(15-12)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
GMMMAGKMKRQNOU-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nnc(n2)c1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.263g/mol
Monoisotopic Mass:
221.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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