3-Chloro-4-(2-cyanophenoxy)benzoic acid
Basic information
- CAS
1281803-67-5- Standard SMILES
N#Cc1ccccc1Oc1ccc(C(=O)O)cc1Cl- InChIKey
FLWFXICVOGXLHF-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO3
- Average molar mass
- 273.67 g/mol
- Monoisotopic mass
- 273.0192708
Names & identifiers
- Preferred name
- 3-Chloro-4-(2-cyanophenoxy)benzoic acid
- IUPAC
- 3-chloro-4-(2-cyanophenoxy)benzoic acid
Names & synonyms
3-chloro-4-(2-cyanophenoxy)benzoic acid1281803-67-5SCHEMBL14967107FLWFXICVOGXLHF-UHFFFAOYSA-NGBC80367MFCD16385559AKOS0106559693-chloro-4-(2-cyanophenoxy)benzoicacidSY145170EN300-120676F97231Z815715412
Database identifiers
- CAS
1281803-67-5- PubChem CID
- 61396302
- EC Number
- 196-779-0
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 378
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Related reactions
1 records
Compound notes
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