5-(3-Chloropropyl)-6,7-dihydro-3-(3-fluorophenyl)-1,2-benzisoxazol-4(5H)-one

HCID 19786547
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Basic information

Standard SMILES
O=C1c2c(-c3cccc(F)c3)noc2CCC1CCCCl
InChIKey
FZDNEYIKAKUWFM-UHFFFAOYSA-N
Molecular formula
C16H15ClFNO2
Average molar mass
307.74 g/mol

Names & identifiers

Preferred name
5-(3-Chloropropyl)-6,7-dihydro-3-(3-fluorophenyl)-1,2-benzisoxazol-4(5H)-one
IUPAC
5-(3-chloropropyl)-3-(3-fluorophenyl)-6,7-dihydro-5H-1,2-benzoxazol-4-one

Names & synonyms

SCHEMBL9024345FZDNEYIKAKUWFM-UHFFFAOYSA-N5-(3-Chloropropyl)-6,7-dihydro-3-(3-fluorophenyl)-1,2-benzisoxazol-4(5H)-one

Database identifiers

PubChem CID
19786547

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
43.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21

Related reactions

3 records
New reaction record

Compound notes

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