Basic information
- CAS
56744-27-5- Standard SMILES
CCCCCCC(CC(Cl)C(Cl)CCCCCCCC(=O)O)OP(=O)(O)O- InChIKey
NZTGBAWFQMSCCA-UHFFFAOYSA-N- Molecular formula
- C18H35Cl2O6P
- Average molar mass
- 449.3 g/mol
- Monoisotopic mass
- 448.1548312
Names & identifiers
- Preferred name
- 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid
- IUPAC
- 9,10-dichloro-12-phosphonooxyoctadecanoic acid
- English name
- 9,10-dichloro-12-(phosphonooxy)octadecanoic acid
- Molecular formula
- C18H35Cl2O6P
- Molecular weight
- 449.35
Names & synonyms
9,10-Dichloro-12-(phosphonooxy)octadecanoic acid56744-27-5EINECS 260-361-7DTXSID00972197RefChem:107478DTXCID501399679260-361-7NZTGBAWFQMSCCA-UHFFFAOYSA-NNS00056246Octadecanoic acid, 9,10-dichloro-12-(phosphonooxy)-
Database identifiers
- CAS
56744-27-5- PubChem CID
- 92520
- DTXSID
DTXSID00972197- EC Number
- 260-361-7
- Nikkaji
- J267.101H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 432
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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