Basic information
- CAS
468087-54-9- Standard SMILES
O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(Br)s1- InChIKey
IJRPJCRCOWXWES-UHFFFAOYSA-N- Molecular formula
- C13H10BrN3O4S
- Average molar mass
- 384.21 g/mol
Names & identifiers
- Preferred name
- N-[(5-bromothiophen-2-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide
- IUPAC
- N-[(5-bromothiophen-2-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide
- English name
- N'-[(5-bromo-2-thienyl)methylene]-2-(4-nitrophenoxy)acetohydrazide
- Molecular formula
- C13H10BrN3O4S
- Molecular weight
- 384.21
Names & synonyms
AKOS030662129N'-[(5-bromo-2-thienyl)methylene]-2-(4-nitrophenoxy)acetohydrazideAcetic acid, 2-(4-nitrophenoxy)-, 2-[(5-bromo-2-thienyl)methylene]hydrazideN'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-(4-nitrophenoxy)acetohydrazide
Database identifiers
- CAS
468087-54-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- 11.06 · 11.06±0.46(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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