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1187167-26-5 | 4-(Pentafluorobenzoyl)isoquinoline
CAS No: 1187167-26-5 Catalog No: AG01FE2R MDL No:
Product Description
Catalog Number:
AG01FE2R
Chemical Name:
4-(Pentafluorobenzoyl)isoquinoline
CAS Number:
1187167-26-5
Molecular Formula:
C16H6F5NO
Molecular Weight:
323.2170
IUPAC Name:
isoquinolin-4-yl-(2,3,4,5,6-pentafluorophenyl)methanone
InChI:
InChI=1S/C16H6F5NO/c17-11-10(12(18)14(20)15(21)13(11)19)16(23)9-6-22-5-7-3-1-2-4-8(7)9/h1-6H
InChI Key:
XRWMWRAGWCCQDH-UHFFFAOYSA-N
SMILES:
O=C(c1cncc2c1cccc2)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.037g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.222g/mol
Monoisotopic Mass:
323.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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