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55676-21-6 | 1-(2-Chloropyridin-3-yl)ethan-1-one
CAS No: 55676-21-6 Catalog No: AG0033KF MDL No:MFCD03840751
Product Description
Catalog Number:
AG0033KF
Chemical Name:
1-(2-Chloropyridin-3-yl)ethan-1-one
CAS Number:
55676-21-6
Molecular Formula:
C7H6ClNO
Molecular Weight:
155.5816
MDL Number:
MFCD03840751
IUPAC Name:
1-(2-chloropyridin-3-yl)ethanone
InChI:
InChI=1S/C7H6ClNO/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3
InChI Key:
WIWIOUAFBHZLNQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccnc1Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.581g/mol
Monoisotopic Mass:
155.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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