2,4-Dichloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-6-methylaniline
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Basic information
- CAS
638159-25-8- Standard SMILES
Cc1cc(C)c2oc(-c3c(Cl)cc(C)c(N)c3Cl)nc2c1- InChIKey
WDZFLENREMNYJT-UHFFFAOYSA-N- Molecular formula
- C16H14Cl2N2O
- Average molar mass
- 321.2 g/mol
- Monoisotopic mass
- 320.0483185
Names & identifiers
- Preferred name
- 2,4-Dichloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-6-methylaniline
- IUPAC
- 2,4-dichloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-6-methylaniline
- English name
- ASISCHEM V04100
- Molecular formula
- C16H14Cl2N2O
- Molecular weight
- 321.2
Names & synonyms
2,4-dichloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-6-methylaniline638159-25-8STK295407AKOS000293168ST510284753-(5,7-dimethylbenzoxazol-2-yl)-2,4-dichloro-6-methylphenylamineASISCHEM V041002,4-DICHLORO-3-(5,7-DIMETHYL-2-BENZOXAZOLYL)-6-METHYL-BENZENAMINEBENZENAMINE, 2,4-DICHLORO-3-(5,7-DIMETHYL-2-BENZOXAZOLYL)-6-METHYL-
Database identifiers
- CAS
638159-25-8- PubChem CID
- 960551
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 458.1 · 458.1±45.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- 2.58 · 2.58±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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