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87540-69-0 | 8-CHLORO-6-PHENYL-1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE
CAS No: 87540-69-0 Catalog No: AG004EZR MDL No:
Product Description
Catalog Number:
AG004EZR
Chemical Name:
8-CHLORO-6-PHENYL-1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE
CAS Number:
87540-69-0
Molecular Formula:
C15H9ClN4
Molecular Weight:
280.7118
IUPAC Name:
8-chloro-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
InChI:
InChI=1S/C15H9ClN4/c16-11-6-7-12-13(8-11)14(10-4-2-1-3-5-10)19-20-9-17-18-15(12)20/h1-9H
InChI Key:
XUWBANWJZJOEBI-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(nn1c2nnc1)c1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.715g/mol
Monoisotopic Mass:
280.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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