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882517-76-2 | [1,2,4]Triazolo[1,5-c]quinazolin-5(6H)-one, 9-chloro-2-methyl-
CAS No: 882517-76-2 Catalog No: AG004CH6 MDL No:
Product Description
Catalog Number:
AG004CH6
Chemical Name:
[1,2,4]Triazolo[1,5-c]quinazolin-5(6H)-one, 9-chloro-2-methyl-
CAS Number:
882517-76-2
Molecular Formula:
C10H7ClN4O
Molecular Weight:
234.6418
IUPAC Name:
9-chloro-2-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
InChI:
InChI=1S/C10H7ClN4O/c1-5-12-9-7-4-6(11)2-3-8(7)13-10(16)15(9)14-5/h2-4H,1H3,(H,13,16)
InChI Key:
DRZPCJZRRXTYOZ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c1nc(nn1c(=O)[nH]2)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.643g/mol
Monoisotopic Mass:
234.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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