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99934-01-7 | Methanone, phenyl(3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl)-
CAS No: 99934-01-7 Catalog No: AG003VIT MDL No:
Product Description
Catalog Number:
AG003VIT
Chemical Name:
Methanone, phenyl(3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl)-
CAS Number:
99934-01-7
Molecular Formula:
C17H11N5O
Molecular Weight:
301.3021
IUPAC Name:
phenyl-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)methanone
InChI:
InChI=1S/C17H11N5O/c23-16(12-7-3-1-4-8-12)14-15-17(19-11-18-14)22(21-20-15)13-9-5-2-6-10-13/h1-11H
InChI Key:
MTWMTEHBQGSEMF-UHFFFAOYSA-N
SMILES:
O=C(c1ncnc2c1nnn2c1ccccc1)c1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.309g/mol
Monoisotopic Mass:
301.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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