Basic information
- CAS
5459-02-9- Standard SMILES
O=c1[nH]c2cc(Br)cc(Br)c2o1- InChIKey
AGSLHFQPWVSWHT-UHFFFAOYSA-N- Molecular formula
- C7H3Br2NO2
- Average molar mass
- 292.91 g/mol
- Monoisotopic mass
- 290.85305
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 5,7-dibromo-
- IUPAC
- 5,7-dibromo-3H-1,3-benzoxazol-2-one
- English name
- 5,7-Dibromobenzoxazol-2(3H)-one
- Molecular formula
- C7H3Br2NO2
- Molecular weight
- 292.91
Names & synonyms
5459-02-92-BENZOXAZOLINONE, 5,7-DIBROMO-5,7-Dibromo-2-benzoxazolinoneMHX3ZR3EY82(3H)-Benzoxazolone, 5,7-dibromo-NSC-25001DTXSID40203018RefChem:1062370DTXCID401255095,7-dibromobenzo[d]oxazol-2(3H)-one5,7-dibromo-3H-1,3-benzoxazol-2-one5,7-Dibromobenzoxazol-2(3H)-one
Show more names
5-7-Dibromo-3H-benzooxazol-2-one
5,7-dibromo-1,3-benzoxazol-2(3H)-oneNSC25001NSC 25001BRN 0152969UNII-MHX3ZR3EY82-Benzoxazolinone,7-dibromo-SCHEMBL21490642(3H)-Benzoxazolone,7-dibromo-
Database identifiers
- CAS
5459-02-9- PubChem CID
- 21607
- DTXSID
DTXSID40203018- UNII
- MHX3ZR3EY8
- Nikkaji
- J41.865J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Density
- 2.178 · 2.178±0.06 g/cm3(Predicted)
- pka
- 7.4 · 7.40±0.70(Predicted)
- FDA UNII
- 3 ZR3EY8 · MHX3ZR3EY8
Chemistry & industry
Suppliers3 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
天津福瑞凯科技有限公司15602163079 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Related reactions
1 records
Compound notes
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