Basic information
- CAS
524953-60-4- Standard SMILES
Nc1ccc(Oc2cccc(F)c2)c(Cl)c1- InChIKey
YNVPKQXOZXARBX-UHFFFAOYSA-N- Molecular formula
- C12H9ClFNO
- Average molar mass
- 237.66 g/mol
- Monoisotopic mass
- 237.0356698
Names & identifiers
- Preferred name
- 3-Chloro-4-(3-fluorophenoxy)aniline
- IUPAC
- 3-chloro-4-(3-fluorophenoxy)aniline
- English name
- 3-CHLORO-4-(3-FLUOROPHENOXY)ANILINE
- Molecular formula
- C12H9ClFNO
- Molecular weight
- 237.66
Names & synonyms
3-CHLORO-4-(3-FLUOROPHENOXY)ANILINE524953-60-43-chloro-4-(3-fluorophenoxy)phenylamineSCHEMBL3126923YNVPKQXOZXARBX-UHFFFAOYSA-NSBB024406STL414725AKOS000215274CS-0453311ST45136301EN300-2311133-chloro-4-(3-fluorophenoxy)aniline--hydrogen chloride (1/1)
Show more names
AKOS B0332503-Chloro-4-(3-fluorophenoxy)benzenamineBenzenamine, 3-chloro-4-(3-fluorophenoxy)-
Database identifiers
- CAS
524953-60-4- PubChem CID
- 19626977
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 333.2 · 333.2±42.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.10(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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