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[2-cyano-2-(2-hydroxyethoxy)ethyl] N-(3-chlorophenyl)carbamate

HCID 238979
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Basic information

CAS
6328-31-0
Standard SMILES
N#CC(COC(=O)Nc1cccc(Cl)c1)OCCO
InChIKey
SOYGFVHKVCDYFG-UHFFFAOYSA-N
Molecular formula
C12H13ClN2O4
Average molar mass
284.69 g/mol
Monoisotopic mass
284.0563846

Names & identifiers

Preferred name
[2-cyano-2-(2-hydroxyethoxy)ethyl] N-(3-chlorophenyl)carbamate
IUPAC
[2-cyano-2-(2-hydroxyethoxy)ethyl] N-(3-chlorophenyl)carbamate

Names & synonyms

NSC436606328-31-0NSC-43660

Database identifiers

CAS
6328-31-0
PubChem CID
238979

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
91.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
19
Formal charge
0
Complexity
331

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Compound notes

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