Basic information
- CAS
349121-09-1- Standard SMILES
O=C(CBr)Nc1ncc([N+](=O)[O-])s1- InChIKey
BRKREXOHFNPWGB-UHFFFAOYSA-N- Molecular formula
- C5H4BrN3O3S
- Average molar mass
- 266.08 g/mol
- Monoisotopic mass
- 264.91567
Names & identifiers
- Preferred name
- 2-Bromo-N-(5-nitro-thiazol-2-yl)-acetamide
- IUPAC
- 2-bromo-N-(5-nitro-1,3-thiazol-2-yl)acetamide
- English name
- 2-Bromo-N-(5-nitrothiazol-2-yl)acetamide
- Molecular formula
- C5H4BrN3O3S
- Molecular weight
- 266.07
Names & synonyms
349121-09-12-Bromo-N-(5-nitro-thiazol-2-yl)-acetamideDTXSID60314933RefChem:257584DTXCID302660562-Bromo-N-(5-nitrothiazol-2-yl)acetamide2-bromo-N-(5-nitro-1,3-thiazol-2-yl)acetamideNSC289929SCHEMBL3466003BRKREXOHFNPWGB-UHFFFAOYSA-NAKOS012990232NSC-289929
Show more names
Acetamide, 2-bromo-N-(5-nitro-2-thiazolyl)-
2-bromo-N-(5-nitrothiazole-2-yl)acetamide
Database identifiers
- CAS
349121-09-1- PubChem CID
- 324458
- DTXSID
DTXSID60314933
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Density
- 2.042 · 2.042±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.37 · 6.37±0.50(Predicted)
Chemistry & industry
Suppliers3 total
赛纳斯特化学(欢迎点击联系)021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
2 records
Compound notes
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