Basic information
- CAS
438530-78-0- Standard SMILES
NNC(=O)c1ccc(COc2ccc(Br)cc2)o1- InChIKey
SUIAUFGQVQAHCZ-UHFFFAOYSA-N- Molecular formula
- C12H11BrN2O3
- Average molar mass
- 311.13 g/mol
- Monoisotopic mass
- 309.9953
Names & identifiers
- Preferred name
- 5-[(4-Bromophenoxy)methyl]-2-furancarboxylic acid hydrazide
- IUPAC
- 5-[(4-bromophenoxy)methyl]furan-2-carbohydrazide
- English name
- 5-[(4-bromophenoxy)methyl]-2-furohydrazide
- Molecular formula
- C12H11BrN2O3
- Molecular weight
- 311.13
Names & synonyms
438530-78-05-[(4-Bromophenoxy)methyl]-2-furancarboxylic acid hydrazide5-((4-Bromophenoxy)methyl)-2-furancarboxylic acid hydrazideRefChem:2991155-[(4-bromophenoxy)methyl]furan-2-carbohydrazide5-[(4-bromophenoxy)methyl]-2-furohydrazide5-((4-Bromophenoxy)methyl)furan-2-carbohydrazide5-(4-BROMO-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID HYDRAZIDEMFCD02253835Oprea1_724896MLS001198727CHEMBL1412430
Show more names
2-Furancarboxylic acid, 5-[(4-bromophenoxy)methyl]-, hydrazide
DTXSID401190369HMS2851A12SBB001278STK346673AKOS000308071SMR000558828ST028684CS-0268422
Database identifiers
- CAS
438530-78-0- PubChem CID
- 726932
- DTXSID
DTXSID401190369- ChEMBL
CHEMBL1412430
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
Solubility33.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.55 · 1.550±0.06 g/cm3(Predicted)
- pka
- 12.01 · 12.01±0.10(Predicted)
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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