Basic information
- CAS
2621-71-8- Standard SMILES
CCOC(=O)Nc1cc(Cl)ccc1Cl- InChIKey
SCMZOTXVHRALSK-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2NO2
- Average molar mass
- 234.08 g/mol
- Monoisotopic mass
- 233.0010339
Names & identifiers
- Preferred name
- 2,5-Dichlorocarbanilic acid ethyl ester
- IUPAC
- ethyl N-(2,5-dichlorophenyl)carbamate
- English name
- Ethyl N-(2,5-dichlorophenyl)carbamate
- Molecular formula
- C9H9Cl2NO2
- Molecular weight
- 234.08
Names & synonyms
2,5-Dichlorocarbanilic acid ethyl esterEthyl 2,5-dichlorocarbanilateEthyl N-(2,5-dichlorophenyl)carbamateCARBANILIC ACID, 2,5-DICHLORO-, ETHYL ESTERNSC 38443BRN 2110289DTXSID701808483-12-00-01399 (Beilstein Handbook Reference)RefChem:247375DTXCID10103339SCMZOTXVHRALSK-UHFFFAOYSA-N2621-71-8
Show more names
N-(2,5-Dichlorophenyl)carbamic acid ethyl ester
Ethyl (2,5-dichlorophenyl)carbamateCarbamic acid, (2,5-dichlorophenyl)-, ethyl esterNSC-38443Carbamic acid, (2,5-dichlorophenyl)-, ethyl ester (9CI)Carbamic acid,(2,5-dichlorophenyl)-, ethyl ester (9CI)Q5CW6GS7VJWLN: 2OVMR BG EGCHEMBL5001900
Database identifiers
- CAS
2621-71-8- PubChem CID
- 17495
- DTXSID
DTXSID70180848- ChEMBL
CHEMBL5001900- UNII
- Q5CW6GS7VJ
- Nikkaji
- J42.834E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 261.8 · 261.8±30.0 °C(Predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- pka
- 12.26 · 12.26±0.70(Predicted)
- FDA UNII
- 5 CW6GS7VJ · Q5CW6GS7VJ
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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