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20963-23-9 | Acetic acid, 2-chloro-2-oxo-, butyl ester
CAS No: 20963-23-9 Catalog No: AG002KCG MDL No:
Product Description
Catalog Number:
AG002KCG
Chemical Name:
Acetic acid, 2-chloro-2-oxo-, butyl ester
CAS Number:
20963-23-9
Molecular Formula:
C6H9ClO3
Molecular Weight:
164.5869
IUPAC Name:
butyl 2-chloro-2-oxoacetate
InChI:
InChI=1S/C6H9ClO3/c1-2-3-4-10-6(9)5(7)8/h2-4H2,1H3
InChI Key:
FFYIWHUDKRDPBB-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(=O)Cl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.024g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.585g/mol
Monoisotopic Mass:
164.024g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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