Basic information
- CAS
108097-99-0- Standard SMILES
O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)C(=O)Nc1ccccc1C(=O)O- InChIKey
MHHDLZJJCBJXPZ-UHFFFAOYSA-N- Molecular formula
- C17H11BrN4O5
- Average molar mass
- 431.2 g/mol
- Monoisotopic mass
- 429.99128
Names & identifiers
- Preferred name
- Benzoic acid, 2-((((5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazino)oxoacetyl)amino)-
- IUPAC
- 2-[[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid
- English name
- 2-[[[(5-bromo-2-oxo-indol-3-yl)amino]carbamoylformyl]amino]benzoic acid
- Molecular formula
- C17H11BrN4O5
- Molecular weight
- 431.2
Names & synonyms
108097-99-0Benzoic acid, 2-((((5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazino)oxoacetyl)amino)-2-[[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acidBRN 56488512-((((5-Bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazino)oxoacetyl)amino)benzoic acid2-[[[(5-BROMO-2-OXO-INDOL-3-YL)AMINO]CARBAMOYLFORMYL]AMINO]BENZOIC ACIDCBDivE_005528SCHEMBL11023698SCHEMBL11024402SCHEMBL11890540DTXSID901483842-{2-[2-(5-Bromo-2-oxo-2H-indol-3-yl)hydrazin-1-yl]-2-oxoacetamido}benzoic acid
Show more names
Reaxys ID: 5648851Benzoic acid, 2-[[2-[2-(5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazinyl]-2-oxoacetyl]amino]-
Database identifiers
- CAS
108097-99-0- PubChem CID
- 60209
- DTXSID
DTXSID90148384
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 630
Physicochemical properties
- Melting point
- 320 · 320-322 °C
- Density
- 1.8 · 1.80±0.1 g/cm3(Predicted)
- pka
- 3.22 · 3.22±0.36(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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