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346647-42-5 | 2,2,2-Trifluoro-1-phenyl-1-pyridin-2-yl-ethanol
CAS No: 346647-42-5 Catalog No: AG01EVMK MDL No:
Product Description
Catalog Number:
AG01EVMK
Chemical Name:
2,2,2-Trifluoro-1-phenyl-1-pyridin-2-yl-ethanol
CAS Number:
346647-42-5
Molecular Formula:
C13H10F3NO
Molecular Weight:
253.2198
IUPAC Name:
2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
InChI:
InChI=1S/C13H10F3NO/c14-13(15,16)12(18,10-6-2-1-3-7-10)11-8-4-5-9-17-11/h1-9,18H
InChI Key:
HBBUSJQQSLFOCA-UHFFFAOYSA-N
SMILES:
FC(C(c1ccccn1)(c1ccccc1)O)(F)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.224g/mol
Monoisotopic Mass:
253.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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