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3-(2-Chloroethoxy)-1,2-benzoxazole

HCID 9877643
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Basic information

Standard SMILES
ClCCOc1noc2ccccc12
InChIKey
RUFNPADJBPZZMN-UHFFFAOYSA-N
Molecular formula
C9H8ClNO2
Average molar mass
197.62 g/mol

Names & identifiers

Preferred name
3-(2-Chloroethoxy)-1,2-benzoxazole
IUPAC
3-(2-chloroethoxy)-1,2-benzoxazole

Names & synonyms

SCHEMBL5331706

Database identifiers

PubChem CID
9877643

Properties

Computed structural propertiesFilling in

XLogP
2.6
Topological polar surface area
35.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
168

Related reactions

1 records
New reaction record
HRID 1146413 reaction equation
HRID 1146413As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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