Completing data — usually done within a minute
Basic information
- CAS
155272-57-4- Standard SMILES
O=c1ccc2ccc(OCCCCl)cc2o1- InChIKey
HXCBKQXAXRRHQW-UHFFFAOYSA-N- Molecular formula
- C12H11ClO3
- Average molar mass
- 238.66 g/mol
- Monoisotopic mass
- 238.03967189
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-
- IUPAC
- 7-(3-chloropropoxy)chromen-2-one
Names & synonyms
2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-7-(3-Chloropropoxy)-2H-1-benzopyran-2-oneCoumarin, 7-(3-chloropropoxy)-155272-57-4DTXSID20165867RefChem:268232DTXCID30883587-(3-chloropropoxy)-2H-chromen-2-one90818-63-67-(3-chloropropoxy)coumarin7-(3'-chloropropoxy)coumarinSCHEMBL9214643
Show more names
HXCBKQXAXRRHQW-UHFFFAOYSA-NSTL326971AKOS0221386417-(3-chloropropoxy)2H-1-benzopyran-2-one
Database identifiers
- CAS
155272-57-4- PubChem CID
- 1900666
- DTXSID
DTXSID20165867
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Related reactions
41 records
Compound notes
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