200,000+ products from a single source!
sales@angenechem.com
13051-10-0 | 3H-Pyrazol-3-one, 4-bromo-2,4-dihydro-5-(4-methoxyphenyl)-4-methyl-
CAS No: 13051-10-0 Catalog No: AG000UJD MDL No:
Product Description
Catalog Number:
AG000UJD
Chemical Name:
3H-Pyrazol-3-one, 4-bromo-2,4-dihydro-5-(4-methoxyphenyl)-4-methyl-
CAS Number:
13051-10-0
Molecular Formula:
C11H11BrN2O2
Molecular Weight:
283.1212
IUPAC Name:
4-bromo-3-(4-methoxyphenyl)-4-methyl-1H-pyrazol-5-one
InChI:
InChI=1S/C11H11BrN2O2/c1-11(12)9(13-14-10(11)15)7-3-5-8(16-2)6-4-7/h3-6H,1-2H3,(H,14,15)
InChI Key:
YYQLVPJWNLODRD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NNC(=O)C1(C)Br
NSC Number:
109913
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.125g/mol
Monoisotopic Mass:
282g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.