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14618-48-5 | Acetamide, N-(2,5-dimethylphenyl)-2,2,2-trifluoro-
CAS No: 14618-48-5 Catalog No: AG001DS9 MDL No:
Product Description
Catalog Number:
AG001DS9
Chemical Name:
Acetamide, N-(2,5-dimethylphenyl)-2,2,2-trifluoro-
CAS Number:
14618-48-5
Molecular Formula:
C10H10F3NO
Molecular Weight:
217.1877
IUPAC Name:
N-(2,5-dimethylphenyl)-2,2,2-trifluoroacetamide
InChI:
InChI=1S/C10H10F3NO/c1-6-3-4-7(2)8(5-6)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChI Key:
KFUHMDMHSVWBTG-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Nc1cc(C)ccc1C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.191g/mol
Monoisotopic Mass:
217.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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