Mandelic acid, 2-chloroethyl ester

HCID 252572

Notes Reactions

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Basic information

CAS: 66267-65-0
Standard SMILES: O=C(OCCCl)C(O)c1ccccc1
InChIKey: KWGDKMFDHGVIEV-UHFFFAOYSA-N
Molecular formula: C10H11ClO3
Average molar mass: 214.64 g/mol

Names & identifiers

Preferred name: Mandelic acid, 2-chloroethyl ester
IUPAC: 2-chloroethyl 2-hydroxy-2-phenylacetate

Names & synonyms

Mandelic acid, 2-chloroethyl ester2-chloroethyl 2-hydroxy-2-phenylacetateSCHEMBL9312670KWGDKMFDHGVIEV-UHFFFAOYSA-NNSC74642NSC-74642Benzeneacetic acid, 2-chloroethyl ester

Database identifiers

CAS: 66267-65-0
PubChem CID: 252572

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 178

Related reactions

6 records

New reaction record

HRID 135308As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 663968As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1491545As productuspto-grants-1994_12

HRID 1491546As reactantuspto-grants-1994_12

HRID 1656719As productuspto-grants-1993_10

HRID 1656720As reactantuspto-grants-1993_10

Compound notes

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