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81817-20-1 | 1,2,4-Benzotriazine, 3-(4-methoxyphenyl)-7-methyl-
CAS No: 81817-20-1 Catalog No: AG005HUD MDL No:
Product Description
Catalog Number:
AG005HUD
Chemical Name:
1,2,4-Benzotriazine, 3-(4-methoxyphenyl)-7-methyl-
CAS Number:
81817-20-1
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
IUPAC Name:
3-(4-methoxyphenyl)-7-methyl-1,2,4-benzotriazine
InChI:
InChI=1S/C15H13N3O/c1-10-3-8-13-14(9-10)17-18-15(16-13)11-4-6-12(19-2)7-5-11/h3-9H,1-2H3
InChI Key:
OIEIQGRTRPCUGZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc2c(n1)ccc(c2)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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