Completing data — usually done within a minute
Basic information
- CAS
1215868-60-2- Standard SMILES
COc1cnc(Oc2ccc(Br)cc2)c(C(=O)O)c1- InChIKey
LUFWEYVNBZHZHV-UHFFFAOYSA-N- Molecular formula
- C13H10BrNO4
- Average molar mass
- 324.13 g/mol
- Monoisotopic mass
- 322.9793199
Names & identifiers
- Preferred name
- 2-(4-Bromophenoxy)-5-methoxynicotinic acid
- IUPAC
- 2-(4-bromophenoxy)-5-methoxypyridine-3-carboxylic acid
Names & synonyms
2-(4-bromophenoxy)-5-methoxynicotinic acid1215868-60-22-(4-Bromophenoxy)-5-methoxy-3-pyridinecarboxylic acidSCHEMBL570767LUFWEYVNBZHZHV-UHFFFAOYSA-NDTXSID401208449DB-3126232-(4-bromophenoxy)-5-methoxypyridine-3-carboxylic acid
Database identifiers
- CAS
1215868-60-2- PubChem CID
- 66728166
- DTXSID
DTXSID401208449
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Related reactions
6 records
Compound notes
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