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Home Halogens 1-(chloromethyl)-4-methyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-(chloromethyl)-4-methyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

CAS No.:
86671-88-7
Catalog Number:
AG019O4C
Molecular Formula:
C11H9ClN4O
Molecular Weight:
248.6684
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Product Description
Catalog Number:
AG019O4C
Chemical Name:
1-(chloromethyl)-4-methyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CAS Number:
86671-88-7
Molecular Formula:
C11H9ClN4O
Molecular Weight:
248.6684
IUPAC Name:
1-(chloromethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
InChI:
InChI=1S/C11H9ClN4O/c1-15-10(17)7-4-2-3-5-8(7)16-9(6-12)13-14-11(15)16/h2-5H,6H2,1H3
InChI Key:
HCHVBXJEWGACEA-UHFFFAOYSA-N
SMILES:
ClCc1nnc2n1c1ccccc1c(=O)n2C
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.046g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.67g/mol
Monoisotopic Mass:
248.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties