Basic information
- CAS
37070-87-4- Standard SMILES
O=Cc1cccc(OC(=O)Nc2ccccc2)c1- InChIKey
ULKIBGXLQKRMMF-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 3-(((Phenylamino)carbonyl)oxy)benzaldehyde
- IUPAC
- (3-formylphenyl) N-phenylcarbamate
Names & synonyms
37070-87-43-(((PHENYLAMINO)CARBONYL)OXY)BENZALDEHYDEDTXSID70190568NSC 5628RefChem:272844DTXCID101130593-formylphenyl phenylcarbamate(3-formylphenyl) N-phenylcarbamateNSC5628Oprea1_605378MLS001180178(3-formylphenoxy)-N-benzamide
Show more names
SCHEMBL2270518CHEMBL1873862SCHEMBL29952313HMS2808D23NSC-5628SBB099422DA-24486SMR000476976
Database identifiers
- CAS
37070-87-4- PubChem CID
- 37618
- DTXSID
DTXSID70190568- ChEMBL
CHEMBL1873862- Nikkaji
- J1.618.688K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Experimental & physicochemical properties
Solubility29.2 [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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