Basic information
- CAS
63212-59-9- Standard SMILES
O=C1Oc2ccc(CCl)cc2CC1Cc1ccccc1- InChIKey
HZNPERNJPARALW-UHFFFAOYSA-N- Molecular formula
- C17H15ClO2
- Average molar mass
- 286.8 g/mol
- Monoisotopic mass
- 286.0760574
Names & identifiers
- Preferred name
- 3,4-Dihydro-3-benzyl-6-chloromethylcoumarin
- IUPAC
- 3-benzyl-6-(chloromethyl)-3,4-dihydrochromen-2-one
- English name
- 3,4-dihydro-3-benzyl-6-chloromethylcoumarin
- Molecular formula
- C17H15ClO2
- Molecular weight
- 286.75
Names & synonyms
DBCMC3,4-Dihydro-3-benzyl-6-chloromethylcoumarin63212-59-92H-1-Benzopyran-2-one, 6-(chloromethyl)-3,4-dihydro-3-(phenylmethyl)-RefChem:91095SCHEMBL3363349SCHEMBL29819788DTXSID20979229DB-3147783-Benzyl-6-(chloromethyl)-3,4-dihydro-2H-1-benzopyran-2-one
Database identifiers
- CAS
63212-59-9- PubChem CID
- 196409
- DTXSID
DTXSID20979229
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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