Basic information
- CAS
52112-67-1- Standard SMILES
Nc1nc2cc(Br)cc(Br)c2o1- InChIKey
FXYIDUGIODSYAI-UHFFFAOYSA-N- Molecular formula
- C7H4Br2N2O
- Average molar mass
- 291.93 g/mol
- Monoisotopic mass
- 289.86904
Names & identifiers
- Preferred name
- 5,7-Dibromo-2-benzoxazolamine
- IUPAC
- 5,7-dibromo-1,3-benzoxazol-2-amine
- English name
- 5,7-Dibromo-2-benzoxazolamine
- Molecular formula
- C7H4Br2N2O
- Molecular weight
- 291.93
Names & synonyms
52112-67-1BENZOXAZOLE, 2-AMINO-5,7-DIBROMO-2-Benzoxazolamine, 5,7-dibromo-5,7-Dibromo-2-benzoxazolamineDTXSID00200124RefChem:1072235DTXCID001226152-Amino-5,7-dibromobenzoxazole5,7-dibromo-1,3-benzoxazol-2-amineNSC-249599N3U3536X7NSC 24959
Show more names
NSC249592-Benzoxazolamine,7-dibromo-SCHEMBL1282332UNII-9N3U3536X7FXYIDUGIODSYAI-UHFFFAOYSA-NDA-05241
Database identifiers
- CAS
52112-67-1- PubChem CID
- 40236
- DTXSID
DTXSID00200124- UNII
- 9N3U3536X7
- Nikkaji
- J67.893G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Density
- 2.0877 · 2.0877 (rough estimate)
- refractive index
- 1.622 · 1.6220 (estimate)
- FDA UNII
- 9 N3U3536X7 · 9N3U3536X7
Chemistry & industry
Suppliers1 total
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
Related reactions
1 records
Compound notes
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