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Home > Fluorides > 1187168-98-4
1187168-98-4 | 4-(4-Fluorobenzoyl)isoquinoline
CAS No: 1187168-98-4 Catalog No: AG01FETJ MDL No:
Product Description
Catalog Number:
AG01FETJ
Chemical Name:
4-(4-Fluorobenzoyl)isoquinoline
CAS Number:
1187168-98-4
Molecular Formula:
C16H10FNO
Molecular Weight:
251.2551
IUPAC Name:
(4-fluorophenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C16H10FNO/c17-13-7-5-11(6-8-13)16(19)15-10-18-9-12-3-1-2-4-14(12)15/h1-10H
InChI Key:
XMNXFAVTZGSGOX-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.26g/mol
Monoisotopic Mass:
251.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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