Basic information
- CAS
22575-27-5- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)c5ccc(Cl)cc5)CCC4(C)C3CCC12C- InChIKey
LOSYTXYCFKYHMJ-UHFFFAOYSA-N- Molecular formula
- C34H49ClO2
- Average molar mass
- 525.2 g/mol
- Monoisotopic mass
- 524.3421085
Names & identifiers
- Preferred name
- Cholest-5-en-3beta-yl p-chlorobenzoate
- IUPAC
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-chlorobenzoate
- English name
- cholest-5-en-3beta-yl p-chlorobenzoate
- Molecular formula
- C34H49ClO2
- Molecular weight
- 525.21
Names & synonyms
Cholest-5-en-3beta-yl p-chlorobenzoate22575-27-5cholest-5-en-3-yl 4-chlorobenzoateEINECS 245-097-2DTXSID10945231Cholesterol p-chlorobenzoateCholest-5-en-3β-ol 4-chlorobenzoateCholest-5-en-3-ol (3β)-, 3-(4-chlorobenzoate)
Database identifiers
- CAS
22575-27-5- PubChem CID
- 90808
- DTXSID
DTXSID10945231- EC Number
- 245-097-2
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 841
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 581.187 · 581.187±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.089 · 1.089±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…