Basic information
- CAS
85107-51-3- Standard SMILES
Nc1cc(B(O)O)ccc1C(=O)O- InChIKey
WMNPRECIOQCXGN-UHFFFAOYSA-N- Molecular formula
- C7H8BNO4
- Average molar mass
- 180.96 g/mol
- Monoisotopic mass
- 181.0546379
Names & identifiers
- Preferred name
- Anthranilic acid, 4-borono-
- IUPAC
- 2-amino-4-boronobenzoic acid
Names & synonyms
2-Amino-4-boronobenzoic acid85107-51-3Benzoic acid, 2-amino-4-borono-ANTHRANILIC ACID, 4-BORONO-BRN 32794483-Amino-4-carboxybenzeneboronic acidBenzeneboronic acid, 3-amino-4-carboxy-DTXSID602342234-16-00-01687 (Beilstein Handbook Reference)RefChem:319774DTXCID60156714Benzoic acid, 2-amino-4-borono-(9CI)
Show more names
2-AMINO-4-(DIHYDROXYBORANYL)BENZOIC ACIDstarbld0019153CHEMBL1082936SCHEMBL14283158
Database identifiers
- CAS
85107-51-3- PubChem CID
- 55307
- DTXSID
DTXSID60234223- ChEMBL
CHEMBL1082936
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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