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Home Halogens 2-pyrazolin-5-one, 1-(m-chlorophenyl)-3-methyl-

2-pyrazolin-5-one, 1-(m-chlorophenyl)-3-methyl-

CAS No.:
90-31-3
Catalog Number:
AG006FP6
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
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Product Description
Catalog Number:
AG006FP6
Chemical Name:
2-pyrazolin-5-one, 1-(m-chlorophenyl)-3-methyl-
CAS Number:
90-31-3
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
MDL Number:
MFCD00020750
IUPAC Name:
2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one
InChI:
InChI=1S/C10H9ClN2O/c1-7-5-10(14)13(12-7)9-4-2-3-8(11)6-9/h2-4,6H,5H2,1H3
InChI Key:
RIOMUJXIGYZENC-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N1N=C(CC1=O)C
EC Number:
201-984-6
NSC Number:
166399
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.645g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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