Completing data — usually done within a minute
Basic information
- CAS
59580-38-0- Standard SMILES
Oc1ccc(Cl)cc1-n1cccc1- InChIKey
CKHQPZFZSSRXIP-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO
- Average molar mass
- 193.63 g/mol
- Monoisotopic mass
- 193.02944156
Names & identifiers
- Preferred name
- Phenol, 4-chloro-2-(1H-pyrrol-1-yl)-
- IUPAC
- 4-chloro-2-pyrrol-1-ylphenol
Names & synonyms
4-chloro-2-(1H-pyrrol-1-yl)phenolPhenol, 4-chloro-2-(1H-pyrrol-1-yl)-59580-38-0SCHEMBL11732770DTXSID50434871CKHQPZFZSSRXIP-UHFFFAOYSA-NN-(5-chloro-2-hydroxyphenyl)pyrroleAKOS006241612N-(5-chloro-2-hydroxyphenyl)-pyrrole
Database identifiers
- CAS
59580-38-0- PubChem CID
- 10058445
- DTXSID
DTXSID50434871- Nikkaji
- J586.821A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Related reactions
2 records
Compound notes
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