Basic information
- CAS
50882-30-9- Standard SMILES
O=C(Nc1ccccc1)Oc1cccc(Br)c1- InChIKey
NZIOLOIADHBHOD-UHFFFAOYSA-N- Molecular formula
- C13H10BrNO2
- Average molar mass
- 292.13 g/mol
- Monoisotopic mass
- 290.98949
Names & identifiers
- Preferred name
- (3-bromophenyl) N-phenylcarbamate
- IUPAC
- (3-bromophenyl) N-phenylcarbamate
Names & synonyms
(3-bromophenyl) N-phenylcarbamate3-bromophenyl phenylcarbamate50882-30-9Cambridge id 5141860MLS001044486CHEMBL1328225DTXSID501320187HMS2783A19STL327133AKOS001027151Phenyl-carbamic acid 3-bromo-phenyl esterSMR000424821
Show more names
SR-01000196766SR-01000196766-1Z55290641
Database identifiers
- CAS
50882-30-9- PubChem CID
- 786347
- DTXSID
DTXSID501320187- ChEMBL
CHEMBL1328225
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Experimental & physicochemical properties
Solubility35.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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