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1414958-52-3 | Ethanone, 1-(2-amino-3-chlorophenyl)-2,2,2-trifluoro-
CAS No: 1414958-52-3 Catalog No: AG001GH5 MDL No:MFCD22689228
Product Description
Catalog Number:
AG001GH5
Chemical Name:
Ethanone, 1-(2-amino-3-chlorophenyl)-2,2,2-trifluoro-
CAS Number:
1414958-52-3
Molecular Formula:
C8H5ClF3NO
Molecular Weight:
223.5796
MDL Number:
MFCD22689228
IUPAC Name:
1-(2-amino-3-chlorophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C8H5ClF3NO/c9-5-3-1-2-4(6(5)13)7(14)8(10,11)12/h1-3H,13H2
InChI Key:
MIKIJQNXZUJDAY-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1cccc(c1N)Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.579g/mol
Monoisotopic Mass:
223.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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