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1187166-70-6 | 4-(2,3-Difluorobenzoyl)isoquinoline
CAS No: 1187166-70-6 Catalog No: AG01FDRN MDL No:
Product Description
Catalog Number:
AG01FDRN
Chemical Name:
4-(2,3-Difluorobenzoyl)isoquinoline
CAS Number:
1187166-70-6
Molecular Formula:
C16H9F2NO
Molecular Weight:
269.2456
IUPAC Name:
(2,3-difluorophenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C16H9F2NO/c17-14-7-3-6-12(15(14)18)16(20)13-9-19-8-10-4-1-2-5-11(10)13/h1-9H
InChI Key:
JODGXSJRXNNULN-UHFFFAOYSA-N
SMILES:
Fc1c(F)cccc1C(=O)c1cncc2c1cccc2
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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