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64694-83-3 | N-(3-Chloro-4-methylphenyl)-2,2,2-trifluoroacetamide
CAS No: 64694-83-3 Catalog No: AG003SAQ MDL No:MFCD01185222
Product Description
Catalog Number:
AG003SAQ
Chemical Name:
N-(3-Chloro-4-methylphenyl)-2,2,2-trifluoroacetamide
CAS Number:
64694-83-3
Molecular Formula:
C9H7ClF3NO
Molecular Weight:
237.6062
MDL Number:
MFCD01185222
IUPAC Name:
N-(3-chloro-4-methylphenyl)-2,2,2-trifluoroacetamide
InChI:
InChI=1S/C9H7ClF3NO/c1-5-2-3-6(4-7(5)10)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
InChI Key:
QAYBTXGTTUWWHN-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Nc1ccc(c(c1)Cl)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.606g/mol
Monoisotopic Mass:
237.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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