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23516-79-2 | Ethanone, 1-(4-aminophenyl)-2,2,2-trifluoro-
CAS No: 23516-79-2 Catalog No: AG002NIK MDL No:MFCD05663790
Product Description
Catalog Number:
AG002NIK
Chemical Name:
Ethanone, 1-(4-aminophenyl)-2,2,2-trifluoro-
CAS Number:
23516-79-2
Molecular Formula:
C8H6F3NO
Molecular Weight:
189.1345
MDL Number:
MFCD05663790
IUPAC Name:
1-(4-aminophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C8H6F3NO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4H,12H2
InChI Key:
GHGLSQSKVJUUNZ-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1ccc(cc1)N
EC Number:
245-709-8
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.137g/mol
Monoisotopic Mass:
189.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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