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10001-54-4 | 1,2,3-Benzotriazin-4(3H)-one, 3-(1-methylethyl)-
CAS No: 10001-54-4 Catalog No: AG0000AP MDL No:
Product Description
Catalog Number:
AG0000AP
Chemical Name:
1,2,3-Benzotriazin-4(3H)-one, 3-(1-methylethyl)-
CAS Number:
10001-54-4
Molecular Formula:
C10H11N3O
Molecular Weight:
189.2138
IUPAC Name:
3-propan-2-yl-1,2,3-benzotriazin-4-one
InChI:
InChI=1S/C10H11N3O/c1-7(2)13-10(14)8-5-3-4-6-9(8)11-12-13/h3-7H,1-2H3
InChI Key:
YDSIMHXQKSAODI-UHFFFAOYSA-N
SMILES:
CC(n1nnc2c(c1=O)cccc2)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.218g/mol
Monoisotopic Mass:
189.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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