3-Amino-4-fluoro-1,2-benzisoxazole-6-methanamine
Basic information
- CAS
508178-13-0- Standard SMILES
NCc1cc(F)c2c(N)noc2c1- InChIKey
PDTJVWOBGVNWEB-UHFFFAOYSA-N- Molecular formula
- C8H8FN3O
- Average molar mass
- 181.17 g/mol
- Monoisotopic mass
- 181.06514005
Names & identifiers
- Preferred name
- 3-Amino-4-fluoro-1,2-benzisoxazole-6-methanamine
- IUPAC
- 6-(aminomethyl)-4-fluoro-1,2-benzoxazol-3-amine
Names & synonyms
SCHEMBL6647480DTXSID6012357493-Amino-4-fluoro-1,2-benzisoxazole-6-methanamine6-(aminomethyl)-4-fluoro-1,2-benzoxazol-3-amine508178-13-0
Database identifiers
- CAS
508178-13-0- PubChem CID
- 60084841
- DTXSID
DTXSID601235749
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…