Basic information
- CAS
78219-03-1- Standard SMILES
Br.NCC1OC(=O)c2cc(O)c(O)cc21- InChIKey
ZOXXBHYZISKNTM-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO4
- Average molar mass
- 276.08 g/mol
- Monoisotopic mass
- 274.9793199
Names & identifiers
- Preferred name
- Phthalide, 3-aminomethyl-5,6-dihydroxy-, hydrobromide
- IUPAC
- 3-(aminomethyl)-5,6-dihydroxy-3H-2-benzofuran-1-one;hydrobromide
- English name
- 3-Aminomethyl-5,6-dihydroxyphthalide hydrobromide
- Molecular weight
- 0
Names & synonyms
78219-03-1Phthalide, 3-aminomethyl-5,6-dihydroxy-, hydrobromideRefChem:10955603-Aminomethyl-5,6-dihydroxyphthalide hydrobromideP 5DTXSID309994933-(Aminomethyl)-5,6-dihydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)
Database identifiers
- CAS
78219-03-1- PubChem CID
- 3060591
- DTXSID
DTXSID30999493
Properties
Computed structural properties
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
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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