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181190-33-0 | Propanamide, N-[4-chloro-2-(2,2,2-trifluoroacetyl)phenyl]-2,2-dimethyl-
CAS No: 181190-33-0 Catalog No: AG0022Q8 MDL No:
Product Description
Catalog Number:
AG0022Q8
Chemical Name:
Propanamide, N-[4-chloro-2-(2,2,2-trifluoroacetyl)phenyl]-2,2-dimethyl-
CAS Number:
181190-33-0
Molecular Formula:
C13H13ClF3NO2
Molecular Weight:
307.6960
IUPAC Name:
N-[4-chloro-2-(2,2,2-trifluoroacetyl)phenyl]-2,2-dimethylpropanamide
InChI:
InChI=1S/C13H13ClF3NO2/c1-12(2,3)11(20)18-9-5-4-7(14)6-8(9)10(19)13(15,16)17/h4-6H,1-3H3,(H,18,20)
InChI Key:
PPPQKMYILLVLDD-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)C(F)(F)F)NC(=O)C(C)(C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.697g/mol
Monoisotopic Mass:
307.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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