Basic information
- CAS
28249-66-3- Standard SMILES
c1ccc(B2Nc3ccccc3O2)cc1- InChIKey
PBFCREGKEBBKAV-UHFFFAOYSA-N- Molecular formula
- C12H10BNO
- Average molar mass
- 195.03 g/mol
- Monoisotopic mass
- 195.0855441
Names & identifiers
- Preferred name
- 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl-
- IUPAC
- 2-phenyl-3H-1,3,2-benzoxazaborole
- English name
- 2,3-Dihydro-2-phenyl-1,3,2-benzoxazaborole
- Molecular weight
- 0
Names & synonyms
2,3-Dihydro-2-phenyl-1,3,2-benzoxazaborole1,3,2-BENZOXAZABOROLE, 2,3-DIHYDRO-2-PHENYL-28249-66-35SOP6148B4NSC-48277DTXSID10182503RefChem:1052469DTXCID801049942-phenyl-2,3-dihydro-1,3,2-benzoxazaboroleNSC 482772-phenyl-3H-1,3,2-benzoxazaboroleBRN 0009356
Show more names
AI3-61029NSC482772,3,2-benzoxazaboroleUNII-5SOP6148B41,2-Benzoxazaborole, 2,3-dihydro-2-phenyl-2-PHENYL-2,3-DIHYDRO-BENZO(1,3,2)OXAZABOROLE
Database identifiers
- CAS
28249-66-3- PubChem CID
- 34191
- DTXSID
DTXSID10182503- UNII
- 5SOP6148B4
- Nikkaji
- J41.932J
Properties
Computed structural properties
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- FDA UNII
- 5 SOP6148B4 · 5SOP6148B4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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