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Home > Fluorides > 1187171-58-9
1187171-58-9 | 4-(2-Trifluoromethylbenzoyl)isoquinoline
CAS No: 1187171-58-9 Catalog No: AG01FBWR MDL No:
Product Description
Catalog Number:
AG01FBWR
Chemical Name:
4-(2-Trifluoromethylbenzoyl)isoquinoline
CAS Number:
1187171-58-9
Molecular Formula:
C17H10F3NO
Molecular Weight:
301.2626
IUPAC Name:
isoquinolin-4-yl-[2-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C17H10F3NO/c18-17(19,20)15-8-4-3-7-13(15)16(22)14-10-21-9-11-5-1-2-6-12(11)14/h1-10H
InChI Key:
AWUQBROACPOHLA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(F)(F)F)c1cncc2c1cccc2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.071g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.268g/mol
Monoisotopic Mass:
301.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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