Home Carboxes 10140-96-2
10140-96-2,MFCD01723370
Catalog No.:AA0004BW
10140-96-2 | Hexanoic acid, 6-chloro-, ethyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$270.00
- +
250mg
95.0%
3 weeks  
$374.00
- +
500mg
95.0%
3 weeks  
$670.00
- +
1g
95.0%
3 weeks  
$884.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0004BW
Chemical Name:
Hexanoic acid, 6-chloro-, ethyl ester
CAS Number:
10140-96-2
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
MDL Number:
MFCD01723370
IUPAC Name:
ethyl 6-chlorohexanoate
InChI:
InChI=1S/C8H15ClO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3
InChI Key:
QYZFPLZQMZFBAZ-UHFFFAOYSA-N
SMILES:
ClCCCCCC(=O)OCC
EC Number:
233-400-0
Properties
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 
Literature
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