Methyl 4-chloro-2-ethylbenzoate

HCID 20040342
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Basic information

CAS
1399182-06-9
Standard SMILES
CCc1cc(Cl)ccc1C(=O)OC
InChIKey
JVDVAVIRWVISQX-UHFFFAOYSA-N
Molecular formula
C10H11ClO2
Average molar mass
198.64 g/mol
Monoisotopic mass
198.04475727

Names & identifiers

Preferred name
Methyl 4-chloro-2-ethylbenzoate
IUPAC
methyl 4-chloro-2-ethylbenzoate

Names & synonyms

methyl 4-chloro-2-ethylbenzoateBenzoic acid, 4-chloro-2-ethyl-, methyl ester1399182-06-9SCHEMBL10487662JVDVAVIRWVISQX-UHFFFAOYSA-NDTXSID001253480

Database identifiers

CAS
1399182-06-9
PubChem CID
20040342
DTXSID
DTXSID001253480

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
13

Related reactions

1 records
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Compound notes

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