Basic information
- CAS
4482-85-3- Standard SMILES
Cc1c(Cl)c(=O)oc2cc(OP(=O)(OCC(C)Cl)OCC(C)Cl)ccc12- InChIKey
YPYDHHNOVXXEOE-UHFFFAOYSA-N- Molecular formula
- C16H18Cl3O6P
- Average molar mass
- 443.6 g/mol
- Monoisotopic mass
- 441.990658
Names & identifiers
- Preferred name
- Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(2-chloropropyl)phosphate
- IUPAC
- (3-chloro-4-methyl-2-oxochromen-7-yl) bis(2-chloropropyl) phosphate
- English name
- Phosphoric acid 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl=bis(2-chloropropyl) ester
- Molecular weight
- 0
Names & synonyms
4482-85-3COUMARIN, 3-CHLORO-7-HYDROXY-4-METHYL-, BIS(2-CHLOROPROPYL)PHOSPHATERefChem:1082238Phosphoric acid, 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2-chloropropyl) esterDTXSID209632841-Propanol, 2-chloro-, hydrogen phosphate, ester with 3-chloro-7-hydroxy-4-methylcoumarin3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2-chloropropyl) phosphatePhosphoric acid 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl=bis(2-chloropropyl) ester
Database identifiers
- CAS
4482-85-3- PubChem CID
- 20566
- DTXSID
DTXSID20963284- Nikkaji
- J48.265J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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