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139126-57-1 | Propanamide, 2-chloro-N-(2,2,2-trifluoroethyl)-
CAS No: 139126-57-1 Catalog No: AG001ACA MDL No:MFCD06655160
Product Description
Catalog Number:
AG001ACA
Chemical Name:
Propanamide, 2-chloro-N-(2,2,2-trifluoroethyl)-
CAS Number:
139126-57-1
Molecular Formula:
C5H7ClF3NO
Molecular Weight:
189.5634
MDL Number:
MFCD06655160
IUPAC Name:
2-chloro-N-(2,2,2-trifluoroethyl)propanamide
InChI:
InChI=1S/C5H7ClF3NO/c1-3(6)4(11)10-2-5(7,8)9/h3H,2H2,1H3,(H,10,11)
InChI Key:
PKRNHFORYFCZOX-UHFFFAOYSA-N
SMILES:
CC(C(=O)NCC(F)(F)F)Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.562g/mol
Monoisotopic Mass:
189.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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