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1183426-12-1

1183426-12-1 | 3-(3,4-Difluorobenzoyl)quinoline

CAS No: 1183426-12-1 Catalog No: AG01FEKA MDL No:

Product Description

Catalog Number:
AG01FEKA
Chemical Name:
3-(3,4-Difluorobenzoyl)quinoline
CAS Number:
1183426-12-1
Molecular Formula:
C16H9F2NO
Molecular Weight:
269.2456
IUPAC Name:
(3,4-difluorophenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C16H9F2NO/c17-13-6-5-11(8-14(13)18)16(20)12-7-10-3-1-2-4-15(10)19-9-12/h1-9H
InChI Key:
UFNCLQVQTCTEIJ-UHFFFAOYSA-N
SMILES:
O=C(c1cnc2c(c1)cccc2)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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