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91003-09-7

91003-09-7 | Benzamide, N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-

CAS No: 91003-09-7 Catalog No: AG006FRG MDL No:

Product Description

Catalog Number:
AG006FRG
Chemical Name:
Benzamide, N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-
CAS Number:
91003-09-7
Molecular Formula:
C20H20ClNO2
Molecular Weight:
341.8313
IUPAC Name:
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide
InChI:
InChI=1S/C20H20ClNO2/c1-22(19(24)15-9-3-2-4-10-15)20(14-8-7-13-18(20)23)16-11-5-6-12-17(16)21/h2-6,9-12H,7-8,13-14H2,1H3
InChI Key:
OTDRJFXNJCZWBI-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C1(CCCCC1=O)N(C(=O)c1ccccc1)C

Properties

Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.118g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.835g/mol
Monoisotopic Mass:
341.118g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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