Basic information
- CAS
38923-36-3- Standard SMILES
O=CC(=O)c1ccc(Cl)c(Cl)c1- InChIKey
MDMMYRFYWOFYSV-UHFFFAOYSA-N- Molecular formula
- C8H4Cl2O2
- Average molar mass
- 203.02 g/mol
- Monoisotopic mass
- 201.9588348
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenyl)-2-oxoacetaldehyde
- IUPAC
- 2-(3,4-dichlorophenyl)-2-oxoacetaldehyde
- English name
- 2-(3,4-Dichlorophenyl)-2-oxoacetaldehyde
- Molecular formula
- C8H4Cl2O2
- Molecular weight
- 203.02216
Names & synonyms
2-(3,4-dichlorophenyl)-2-oxoacetaldehyde38923-36-3(3,4-dichlorophenyl)(oxo)acetaldehyde2-(3,4-Dichlorophenyl)-2-oxo-acetaldehydeNSC122222SCHEMBL1484306DTXSID00298283MDMMYRFYWOFYSV-UHFFFAOYSA-NMFCD00666337AKOS016015524NSC-122222DB-103515
Show more names
Benzeneacetaldehyde, 3,4-dichloro-α-oxo-
F77925
Database identifiers
- CAS
38923-36-3- PubChem CID
- 275401
- DTXSID
DTXSID00298283
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 116 · 116-122 °C(Press: 4 Torr)
- Density
- 1.427 · 1.427±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
Related reactions
4 records
Compound notes
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