Home Halogens 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide

2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide

CAS No.:
1803609-22-4
Catalog Number:
AG01BC86
Molecular Formula:
C11H8Cl2F3NO2
Molecular Weight:
314.0879
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Product Description
Catalog Number:
AG01BC86
Chemical Name:
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide
CAS Number:
1803609-22-4
Molecular Formula:
C11H8Cl2F3NO2
Molecular Weight:
314.0879
MDL Number:
MFCD28714742
IUPAC Name:
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide
InChI:
InChI=1S/C11H8Cl2F3NO2/c1-5(18)9(13)10(19)17-8-4-6(11(14,15)16)2-3-7(8)12/h2-4,9H,1H3,(H,17,19)
InChI Key:
KGLJRCICJGJYES-UHFFFAOYSA-N
SMILES:
ClC(C(=O)C)C(=O)Nc1cc(ccc1Cl)C(F)(F)F
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.988g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.085g/mol
Monoisotopic Mass:
312.988g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties