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2323-81-1 | Pentanoic acid, 5-chloro-, ethyl ester
CAS No: 2323-81-1 Catalog No: AG002MLO MDL No:
Product Description
Catalog Number:
AG002MLO
Chemical Name:
Pentanoic acid, 5-chloro-, ethyl ester
CAS Number:
2323-81-1
Molecular Formula:
C7H13ClO2
Molecular Weight:
164.6299
IUPAC Name:
ethyl 5-chloropentanoate
InChI:
InChI=1S/C7H13ClO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3
InChI Key:
JHPBGAORCOXWNO-UHFFFAOYSA-N
SMILES:
ClCCCCC(=O)OCC
Properties
Complexity:
93.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.06g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.629g/mol
Monoisotopic Mass:
164.06g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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