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150698-72-9 | Ethanone, 1-(6-chloro-3-pyridinyl)-2,2,2-trifluoro-
CAS No: 150698-72-9 Catalog No: AG001MSV MDL No:
Product Description
Catalog Number:
AG001MSV
Chemical Name:
Ethanone, 1-(6-chloro-3-pyridinyl)-2,2,2-trifluoro-
CAS Number:
150698-72-9
Molecular Formula:
C7H3ClF3NO
Molecular Weight:
209.5530
IUPAC Name:
1-(6-chloropyridin-3-yl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C7H3ClF3NO/c8-5-2-1-4(3-12-5)6(13)7(9,10)11/h1-3H
InChI Key:
SYPJJBWXFXEFFO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cn1)C(=O)C(F)(F)F
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.986g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.552g/mol
Monoisotopic Mass:
208.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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