Computed Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.076g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.656g/mol
Monoisotopic Mass:
178.076g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Synonyms
Ethyl 6-chlorohexanoate
10140-96-2
6-Chlorohexanoic acid ethyl ester
QYZFPLZQMZFBAZ-UHFFFAOYSA-N
ZINC2023956
Hexanoic acid,6-chloro-, ethyl ester
LS-75221
5-chloro-pentanecarboxylic acid ethyl ester
FT-0711127
C8H15ClO2
C8-H15-Cl-O2
CID24999
HEXANOIC ACID, 6-CHLORO-, ETHYL ESTER
3-02-00-00735 (Beilstein Handbook Reference)
6-Chlorohexanoic acid, ethyl ester
EINECS 233-400-0
BRN 1756050
AC1L2NTK
SCHEMBL1366491
CTK3J9758
DTXSID50143911
