3-(Chloromethyl)-2,5,9-trimethyl-7H-furo(3,2-g)chromen-7-one
Basic information
- CAS
62442-57-3- Standard SMILES
Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CCl- InChIKey
DKFOVSBANNNBPG-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Names & identifiers
- Preferred name
- 3-(Chloromethyl)-2,5,9-trimethyl-7H-furo(3,2-g)chromen-7-one
- IUPAC
- 3-(chloromethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
- English name
- 3-CHLOROMETHYL-2,5,9-TRIMETHYL-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE
- Molecular formula
- C15H13ClO3
- Molecular weight
- 276.71
Names & synonyms
62442-57-33-(Chloromethyl)-2,5,9-trimethyl-7H-furo(3,2-g)chromen-7-oneNSC 671202NSC 2918333-(Chloromethyl)-2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-oneDTXSID70211484RefChem:275265DTXCID70133975NSC291833U5LQJ69UAC3-(chloromethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one4'-Chloromethyltrioxsalen
Show more names
Aids014488Aids-0144884'-CHLOROMETHYL-4,5',8-TRIMETHYLPSORALEN3-CHLOROMETHYL-2,5,9-TRIMETHYL-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE7H-Furo[3,2-g][1]benzopyran-7-one, 3-(chloromethyl)-2,5,9-trimethyl-
UNII-U5LQJ69UACNSC671202NSC-291833NSC-6712023-(Chloromethyl)-2,5,9-trimethyl-7H-furo[3,2-g][1]benzopyran-7-oneSCHEMBL11157777H-Furo[3,2-g][1]benzopyran-7-one der.7H-Furo[3, 3-(chloromethyl)-2,5,9-trimethyl-
Database identifiers
- CAS
62442-57-3- PubChem CID
- 324872
- DTXSID
DTXSID70211484- UNII
- U5LQJ69UAC
- Nikkaji
- J2.652.933F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- FDA UNII
- 5 LQJ69UAC · U5LQJ69UAC
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Compound notes
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