Carbamic acid, (hydroxymethyl)-, 3-(4-chlorophenyl)-2-hydroxypropyl ester

HCID 183147

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Basic information

CAS: 110953-73-6
Standard SMILES: O=C(NCO)OCC(O)COc1ccc(Cl)cc1
InChIKey: AWJKAISWIOYEKV-UHFFFAOYSA-N
Molecular formula: C11H14ClNO5
Average molar mass: 275.68 g/mol
Monoisotopic mass: 275.0560502

Names & identifiers

Preferred name: Carbamic acid, (hydroxymethyl)-, 3-(4-chlorophenyl)-2-hydroxypropyl ester
IUPAC: [3-(4-chlorophenoxy)-2-hydroxypropyl] N-(hydroxymethyl)carbamate

Names & synonyms

110953-73-6Carbamic acid, (hydroxymethyl)-, 3-(4-chlorophenyl)-2-hydroxypropyl esterDTXSID909119143-(4-Chlorophenoxy)-2-hydroxypropyl hydrogen (hydroxymethyl)carbonimidate

Database identifiers

CAS: 110953-73-6
PubChem CID: 183147
DTXSID: DTXSID90911914

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 88 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 246

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