4,6-Dibromo-2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-amine
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Basic information
- CAS
637302-96-6- Standard SMILES
Cc1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)cc1C- InChIKey
SDLHSYHYISVPHQ-UHFFFAOYSA-N- Molecular formula
- C15H12Br2N2O
- Average molar mass
- 396.08 g/mol
- Monoisotopic mass
- 393.93164
Names & identifiers
- Preferred name
- 4,6-Dibromo-2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-amine
- IUPAC
- 4,6-dibromo-2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-amine
- English name
- 4,6-DIBROMO-2-(3,4-DIMETHYLPHENYL)-1,3-BENZOXAZOL-5-AMINE
- Molecular formula
- C15H12Br2N2O
- Molecular weight
- 396.08
Names & synonyms
4,6-dibromo-2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-amine637302-96-6ZINC2213231MFCD03674617ZINC02213231C15H12Br2N2ODTXSID30365371BBL014205STK131066AKOS000108391VS-04238ZINC000002213231
Show more names
AKOS BB-8076ASISCHEM U646284,6-DIBROMO-2-(3,4-DIMETHYLPHENYL)-5-BENZOXAZOLAMINE5-BENZOXAZOLAMINE, 4,6-DIBROMO-2-(3,4-DIMETHYLPHENYL)-
46dibromo2(34dimethylphenyl)benzo(d)oxazol5amine5BENZOXAZOLAMINE46DIBROMO2(34DIMETHYLPHENYL)46DIBROMO2(34DIMETHYLPHENYL)13BENZOXAZOL5AMINE46DIBROMO2(34DIMETHYLPHENYL)BENZOOXAZOL5YLAMINE4,6-dibromo-2-(3,4-dimethylphenyl)benzo[d]oxazol-5-amineCC1=C(C=C(C=C1)C2=NC3=C(C(=C(C=C3O2)Br)N)Br)C
Database identifiers
- CAS
637302-96-6- PubChem CID
- 1846121
- DTXSID
DTXSID30365371
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 462.3 · 462.3±45.0 °C(Predicted)
- Density
- 1.706 · 1.706±0.06 g/cm3(Predicted)
- pka
- 2.5 · 2.50±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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