Basic information
- CAS
882535-01-5- Standard SMILES
COc1cc(N)ccc1Cc1cccc(Cl)c1F- InChIKey
OXLYVIPARMHHLQ-UHFFFAOYSA-N- Molecular formula
- C14H13ClFNO
- Average molar mass
- 265.71 g/mol
- Monoisotopic mass
- 265.0669699
Names & identifiers
- Preferred name
- 4-(3-Chloro-2-fluorobenzyl)-3-methoxyaniline
- IUPAC
- 4-[(3-chloro-2-fluorophenyl)methyl]-3-methoxyaniline
- English name
- 4-(3-chloro-2-fluorobenzyl)-3-methoxyaniline
- Molecular formula
- C14H13ClFNO
- Molecular weight
- 265.71
Names & synonyms
4-(3-CHLORO-2-FLUOROBENZYL)-3-METHOXYANILINE882535-01-5DTXSID00469512SB816854-[(3-Chloro-2-fluorophenyl)methyl]-3-methoxyanilineBenzenamine, 4-[(3-chloro-2-fluorophenyl)methyl]-3-methoxy-
Database identifiers
- CAS
882535-01-5- PubChem CID
- 11615935
- DTXSID
DTXSID00469512
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 386.8 · 386.8±37.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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