Home Halogens Ethyl 4-chloro-2,2-dimethylbutanoate

Ethyl 4-chloro-2,2-dimethylbutanoate

CAS No.:
53840-29-2
Catalog Number:
AG00DLNE
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$1060
- +
1g
95%
1 week
United States
$2594
- +
Product Description
Catalog Number:
AG00DLNE
Chemical Name:
Ethyl 4-chloro-2,2-dimethylbutanoate
CAS Number:
53840-29-2
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
MDL Number:
MFCD20622077
IUPAC Name:
ethyl 4-chloro-2,2-dimethylbutanoate
InChI:
InChI=1S/C8H15ClO2/c1-4-11-7(10)8(2,3)5-6-9/h4-6H2,1-3H3
InChI Key:
NTPXZPHIALBTDR-UHFFFAOYSA-N
SMILES:
ClCCC(C(=O)OCC)(C)C
Properties
Complexity:
132  
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:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties