2-Bromo-4-(4-methoxy-3-nitrophenyl)thiazole
Basic information
- CAS
1387562-68-6- Standard SMILES
COc1ccc(-c2csc(Br)n2)cc1[N+](=O)[O-]- InChIKey
BXVPDNXLYYPMQE-UHFFFAOYSA-N- Molecular formula
- C10H7BrN2O3S
- Average molar mass
- 315.15 g/mol
- Monoisotopic mass
- 313.93608
Names & identifiers
- Preferred name
- 2-Bromo-4-(4-methoxy-3-nitrophenyl)thiazole
- IUPAC
- 2-bromo-4-(4-methoxy-3-nitrophenyl)-1,3-thiazole
Names & synonyms
2-Bromo-4-(4-methoxy-3-nitrophenyl)thiazole1387562-68-62-Bromo-4-(4-methoxy-3-nitro-phenyl)-thiazoleDTXSID001245435Thiazole, 2-bromo-4-(4-methoxy-3-nitrophenyl)-2-Bromo-4-(4-methoxy-3-nitrophenyl)-1,3-thiazole
Database identifiers
- CAS
1387562-68-6- PubChem CID
- 97033874
- DTXSID
DTXSID001245435
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
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Compound notes
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