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1-chloroethyl pivalate

CAT: 1299-RG-E140237-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E140237-01Size:10 mg
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CAS Number
40258-80-8
Synonyms
1-chloroethyl pivalate
Molecular Formula
C7H13ClO2
Molecular Weight
164.63
Product Name Synonym
1-chloroethyl pivalate

Chemical Information

1-Chloroethyl pivalate
CAS Number40258-80-8
PubChem CID3016174
IUPAC Name1-chloroethyl 2,2-dimethylpropanoate
Molecular FormulaC7H13ClO2
Molecular Weight164.63
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
CC(OC(=O)C(C)(C)C)Cl
InChI
InChI=1S/C7H13ClO2/c1-5(8)10-6(9)7(2,3)4/h5H,1-4H3
InChIKey
VQEZDLXEVJCRMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloroethyl pivalate
CAS: 40258-80-8
CID: 3016174
Formula: C7H13ClO2
MW: 164.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.63
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.0604073
Monoisotopic Mass164.0604073
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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