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139486-41-2 | Ethanone, 1-(3-bromophenyl)-2,2,2-trifluoro-, oxime
CAS No: 139486-41-2 Catalog No: AG001B43 MDL No:
Product Description
Catalog Number:
AG001B43
Chemical Name:
Ethanone, 1-(3-bromophenyl)-2,2,2-trifluoro-, oxime
CAS Number:
139486-41-2
Molecular Formula:
C8H5BrF3NO
Molecular Weight:
268.0306
IUPAC Name:
N-[1-(3-bromophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
InChI:
InChI=1S/C8H5BrF3NO/c9-6-3-1-2-5(4-6)7(13-14)8(10,11)12/h1-4,14H
InChI Key:
MHRYXCBLPQYMBP-UHFFFAOYSA-N
SMILES:
ON=C(C(F)(F)F)c1cccc(c1)Br
Properties
Complexity:
229
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:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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