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Home > Fluorides > 1187169-84-1
1187169-84-1 | 4-(3,4,5Trifluorobenzoyl)isoquinoline
CAS No: 1187169-84-1 Catalog No: AG01FCXN MDL No:
Product Description
Catalog Number:
AG01FCXN
Chemical Name:
4-(3,4,5Trifluorobenzoyl)isoquinoline
CAS Number:
1187169-84-1
Molecular Formula:
C16H8F3NO
Molecular Weight:
287.2360
IUPAC Name:
isoquinolin-4-yl-(3,4,5-trifluorophenyl)methanone
InChI:
InChI=1S/C16H8F3NO/c17-13-5-10(6-14(18)15(13)19)16(21)12-8-20-7-9-3-1-2-4-11(9)12/h1-8H
InChI Key:
AJQXZXKHOTWALW-UHFFFAOYSA-N
SMILES:
O=C(c1cncc2c1cccc2)c1cc(F)c(c(c1)F)F
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.056g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.241g/mol
Monoisotopic Mass:
287.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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