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1187169-69-2 | 2-Chloro-5-(3,4-difluorobenzoyl)pyridine
CAS No: 1187169-69-2 Catalog No: AG01FBVW MDL No:
Product Description
Catalog Number:
AG01FBVW
Chemical Name:
2-Chloro-5-(3,4-difluorobenzoyl)pyridine
CAS Number:
1187169-69-2
Molecular Formula:
C12H6ClF2NO
Molecular Weight:
253.6319
IUPAC Name:
(6-chloropyridin-3-yl)-(3,4-difluorophenyl)methanone
InChI:
InChI=1S/C12H6ClF2NO/c13-11-4-2-8(6-16-11)12(17)7-1-3-9(14)10(15)5-7/h1-6H
InChI Key:
ZMHAQASWMQOBOJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cn1)C(=O)c1ccc(c(c1)F)F
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.633g/mol
Monoisotopic Mass:
253.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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