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Home > Fluorides > 1187167-54-9
1187167-54-9 | 4-(3,4-Difluorobenzoyl)isoquinoline
CAS No: 1187167-54-9 Catalog No: AG01FDS1 MDL No:
Product Description
Catalog Number:
AG01FDS1
Chemical Name:
4-(3,4-Difluorobenzoyl)isoquinoline
CAS Number:
1187167-54-9
Molecular Formula:
C16H9F2NO
Molecular Weight:
269.2456
IUPAC Name:
(3,4-difluorophenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C16H9F2NO/c17-14-6-5-10(7-15(14)18)16(20)13-9-19-8-11-3-1-2-4-12(11)13/h1-9H
InChI Key:
FDBAMISNZANRAA-UHFFFAOYSA-N
SMILES:
O=C(c1cncc2c1cccc2)c1ccc(c(c1)F)F
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.065g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.251g/mol
Monoisotopic Mass:
269.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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