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87540-70-3 | 8-CHLORO-3-METHYL-6-PHENYL-1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE
CAS No: 87540-70-3 Catalog No: AG004H2C MDL No:
Product Description
Catalog Number:
AG004H2C
Chemical Name:
8-CHLORO-3-METHYL-6-PHENYL-1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE
CAS Number:
87540-70-3
Molecular Formula:
C16H11ClN4
Molecular Weight:
294.7383
IUPAC Name:
8-chloro-3-methyl-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
InChI:
InChI=1S/C16H11ClN4/c1-10-18-19-16-13-8-7-12(17)9-14(13)15(20-21(10)16)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
PJVWRMUQRMLWBF-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(nn1c2nnc1C)c1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.742g/mol
Monoisotopic Mass:
294.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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