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155297-20-4 | Pyrano[2,3-c]pyrazol-6(1H)-one, 1-(4-bromophenyl)-3,4-dimethyl-
CAS No: 155297-20-4 Catalog No: AG001NSV MDL No:
Product Description
Catalog Number:
AG001NSV
Chemical Name:
Pyrano[2,3-c]pyrazol-6(1H)-one, 1-(4-bromophenyl)-3,4-dimethyl-
CAS Number:
155297-20-4
Molecular Formula:
C14H11BrN2O2
Molecular Weight:
319.1533
IUPAC Name:
1-(4-bromophenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6-one
InChI:
InChI=1S/C14H11BrN2O2/c1-8-7-12(18)19-14-13(8)9(2)16-17(14)11-5-3-10(15)4-6-11/h3-7H,1-2H3
InChI Key:
GGGBCAMTYUVVGQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1nc(c2c1oc(=O)cc2C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.158g/mol
Monoisotopic Mass:
318g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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