Basic information
- CAS
63867-12-9- Standard SMILES
COP(=O)(OC)OC(C)(Br)C(Br)C(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
UNVIJENIJIKLCV-UHFFFAOYSA-N- Molecular formula
- C13H16Br2NO8P
- Average molar mass
- 505.05 g/mol
- Monoisotopic mass
- 502.89803
Names & identifiers
- Preferred name
- Butyric acid, 2,3-dibromo-3-hydroxy-, p-nitrobenzyl ester, dimethyl phosphate
- IUPAC
- (4-nitrophenyl)methyl 2,3-dibromo-3-dimethoxyphosphoryloxybutanoate
Names & synonyms
Shell SD-7393SD 7393ENT 25,74463867-12-9(4-Nitrophenyl)methyl 2,3-dibromo-3-((dimethoxyphosphinyl)oxy)butanoateButanoic acid, 2,3-dibromo-3-((dimethoxyphosphinyl)oxy)-, (4-nitrophenyl)methyl esterBUTYRIC ACID, 2,3-DIBROMO-3-HYDROXY-, p-NITROBENZYL ESTER, DIMETHYL PHOSPHATERefChem:331222DTXSID30980503(4-Nitrophenyl)methyl 2,3-dibromo-3-[(dimethoxyphosphoryl)oxy]butanoate
Database identifiers
- CAS
63867-12-9- PubChem CID
- 44843
- DTXSID
DTXSID30980503- Nikkaji
- J77.587H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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