Home Nitros 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one

4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one

CAS No.:
79966-13-5
Catalog Number:
AG008KQY
Molecular Formula:
C10H7ClN2O3
Molecular Weight:
238.6272
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Product Description
Catalog Number:
AG008KQY
Chemical Name:
4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one
CAS Number:
79966-13-5
Molecular Formula:
C10H7ClN2O3
Molecular Weight:
238.6272
MDL Number:
MFCD00218839
IUPAC Name:
4-chloro-1-methyl-3-nitroquinolin-2-one
InChI:
InChI=1S/C10H7ClN2O3/c1-12-7-5-3-2-4-6(7)8(11)9(10(12)14)13(15)16/h2-5H,1H3
InChI Key:
KPDOVJBEKCRATD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)c2ccccc2n(c1=O)C
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.015g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.627g/mol
Monoisotopic Mass:
238.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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
Properties