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Ethyl 3-chloro-2-methylpropanoate

HCID 246989
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Basic information

CAS
922-29-2
Standard SMILES
CCOC(=O)C(C)CCl
InChIKey
KACQSQKESARGKY-UHFFFAOYSA-N
Molecular formula
C6H11ClO2
Average molar mass
150.6 g/mol
Monoisotopic mass
150.0447573

Names & identifiers

Preferred name
Ethyl 3-chloro-2-methylpropanoate
IUPAC
ethyl 3-chloro-2-methylpropanoate

Names & synonyms

ethyl 3-chloro-2-methylpropanoate922-29-2DTXSID60289410RefChem:343370DTXCID10240556NSC60699MFCD00045285SCHEMBL7041660SCHEMBL9509634ETHYL beta-CHLOROISOBUTYRATEethyl 3-chloro-2-methyl-propanoateNSC 60699
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NSC-60699AKOS006275639NS-01159

Database identifiers

CAS
922-29-2
PubChem CID
246989
DTXSID
DTXSID60289410

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
9
Formal charge
0
Complexity
93.1

Related reactions

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Compound notes

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