2-Bromo-3-ethylphenyl pyrimidine-5-carboxylate
Basic information
- CAS
887408-41-5- Standard SMILES
CCc1cccc(OC(=O)c2cncnc2)c1Br- InChIKey
KMGCLGNUBFLTFO-UHFFFAOYSA-N- Molecular formula
- C13H11BrN2O2
- Average molar mass
- 307.14 g/mol
- Monoisotopic mass
- 306.00039
Names & identifiers
- Preferred name
- 2-Bromo-3-ethylphenyl pyrimidine-5-carboxylate
- IUPAC
- (2-bromo-3-ethylphenyl) pyrimidine-5-carboxylate
Names & synonyms
2-Bromo-3-ethylphenyl pyrimidine-5-carboxylateDTXSID40695459
Database identifiers
- CAS
887408-41-5- PubChem CID
- 53404994
- DTXSID
DTXSID40695459
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
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Compound notes
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