3-(3-Bromo-5-chlorophenyl)-3-hydroxypropanenitrile
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Basic information
- Standard SMILES
N#CCC(O)c1cc(Cl)cc(Br)c1- InChIKey
ACRMVSGUWLGWFG-UHFFFAOYSA-N- Molecular formula
- C9H7BrClNO
- Average molar mass
- 260.51 g/mol
- Monoisotopic mass
- 258.93995
Names & identifiers
- Preferred name
- 3-(3-Bromo-5-chlorophenyl)-3-hydroxypropanenitrile
- IUPAC
- 3-(3-bromo-5-chlorophenyl)-3-hydroxypropanenitrile
Names & synonyms
3-(3-bromo-5-chlorophenyl)-3-hydroxypropanenitrile1075178-91-4SCHEMBL237927ACRMVSGUWLGWFG-UHFFFAOYSA-NEN300-19218163-(5-bromo-3-chlorophenyl)-3-hydroxypropanenitrile
Database identifiers
- PubChem CID
- 66629520
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
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Related reactions
5 records
Compound notes
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