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1233967-22-0 | Ethanone, 1-(2-amino-5-bromophenyl)-2,2,2-trifluoro-
CAS No: 1233967-22-0 Catalog No: AG000KI8 MDL No:MFCD18071073
Product Description
Catalog Number:
AG000KI8
Chemical Name:
Ethanone, 1-(2-amino-5-bromophenyl)-2,2,2-trifluoro-
CAS Number:
1233967-22-0
Molecular Formula:
C8H5BrF3NO
Molecular Weight:
268.0306
MDL Number:
MFCD18071073
IUPAC Name:
1-(2-amino-5-bromophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C8H5BrF3NO/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12/h1-3H,13H2
InChI Key:
CWTOSTWUQONVEW-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1cc(Br)ccc1N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.033g/mol
Monoisotopic Mass:
266.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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