Home Halogens 1-(6-chloropyridin-3-yl)butan-1-one

1-(6-chloropyridin-3-yl)butan-1-one

CAS No.:
918503-72-7
Catalog Number:
AG00GUP8
Molecular Formula:
C9H10ClNO
Molecular Weight:
183.6348
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Product Description
Catalog Number:
AG00GUP8
Chemical Name:
1-(6-chloropyridin-3-yl)butan-1-one
CAS Number:
918503-72-7
Molecular Formula:
C9H10ClNO
Molecular Weight:
183.6348
MDL Number:
MFCD13248626
IUPAC Name:
1-(6-chloropyridin-3-yl)butan-1-one
InChI:
InChI=1S/C9H10ClNO/c1-2-3-8(12)7-4-5-9(10)11-6-7/h4-6H,2-3H2,1H3
InChI Key:
KOJXAYDVESWDSW-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(nc1)Cl
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.045g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.635g/mol
Monoisotopic Mass:
183.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties