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35853-55-5 | (2,8-Bis(trifluoromethyl)quinolin-4-yl)(pyridin-2-yl)methanone
CAS No: 35853-55-5 Catalog No: AG003BLC MDL No:MFCD05863551
Product Description
Catalog Number:
AG003BLC
Chemical Name:
(2,8-Bis(trifluoromethyl)quinolin-4-yl)(pyridin-2-yl)methanone
CAS Number:
35853-55-5
Molecular Formula:
C17H8F6N2O
Molecular Weight:
370.2486
MDL Number:
MFCD05863551
IUPAC Name:
[2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone
InChI:
InChI=1S/C17H8F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h1-8H
InChI Key:
GZTUXOWPGYDWNO-UHFFFAOYSA-N
SMILES:
O=C(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)c1ccccn1
EC Number:
252-763-6
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.054g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.254g/mol
Monoisotopic Mass:
370.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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