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188057-24-1 | 3-Pyridinol, 6-chloro-, 3-acetate
CAS No: 188057-24-1 Catalog No: AG002GNV MDL No:
Product Description
Catalog Number:
AG002GNV
Chemical Name:
3-Pyridinol, 6-chloro-, 3-acetate
CAS Number:
188057-24-1
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
IUPAC Name:
(6-chloropyridin-3-yl) acetate
InChI:
InChI=1S/C7H6ClNO2/c1-5(10)11-6-2-3-7(8)9-4-6/h2-4H,1H3
InChI Key:
NWKLWOGUAXAQGW-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(nc1)Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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