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766526-40-3 | Benzamide,2,3-dimethoxy-N-4H-1,2,4-triazol-4-yl-
CAS No: 766526-40-3 Catalog No: AG005J56 MDL No:
Product Description
Catalog Number:
AG005J56
Chemical Name:
Benzamide,2,3-dimethoxy-N-4H-1,2,4-triazol-4-yl-
CAS Number:
766526-40-3
Molecular Formula:
C11H12N4O3
Molecular Weight:
248.2380
IUPAC Name:
2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
InChI:
InChI=1S/C11H12N4O3/c1-17-9-5-3-4-8(10(9)18-2)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChI Key:
YXFTUXDCDMZBJB-UHFFFAOYSA-N
SMILES:
COc1c(OC)cccc1C(=O)Nn1cnnc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.242g/mol
Monoisotopic Mass:
248.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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 |
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