Basic information
- CAS
946727-60-2- Standard SMILES
Nc1cccc(Cl)c1Oc1ccc(Cc2ccccc2)cc1- InChIKey
GGPVNGYRRBWIIQ-UHFFFAOYSA-N- Molecular formula
- C19H16ClNO
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.0920418
Names & identifiers
- Preferred name
- 2-(4-Benzylphenoxy)-3-chloroaniline
- IUPAC
- 2-(4-benzylphenoxy)-3-chloroaniline
- English name
- 2-(4-BENZYLPHENOXY)-3-CHLOROANILINE
- Molecular formula
- C19H16ClNO
- Molecular weight
- 309.79
Names & synonyms
2-(4-BENZYLPHENOXY)-3-CHLOROANILINE946727-60-2AKOS015839257Benzenamine, 3-chloro-2-[4-(phenylmethyl)phenoxy]-
Database identifiers
- CAS
946727-60-2- PubChem CID
- 26189220
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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