Basic information
- CAS
3574-02-5- Standard SMILES
c1ccc(-c2nc3c(ccc4ccccc43)o2)cc1- InChIKey
IXRXDHFSMJQNMJ-UHFFFAOYSA-N- Molecular formula
- C17H11NO
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.08406397
Names & identifiers
- Preferred name
- Naphth[1,2-d]oxazole, 2-phenyl-
- IUPAC
- 2-phenylbenzo[e][1,3]benzoxazole
- English name
- 2-phenylnaphtho[1,2-d][1,3]oxazole
- Molecular formula
- C17H11NO
- Molecular weight
- 245.28
Names & synonyms
3574-02-52-phenylbenzo[e][1,3]benzoxazolenaphth[1,2-d]oxazole, 2-phenyl-2-phenylnaphtho[1,2-d][1,3]oxazoleNSC17054SCHEMBL2242814SCHEMBL315988982-phenylnaphtho [1,2-d]oxazoleDTXSID80280469NSC-17054AE-848/360470532-phenylnaphtho[1,2-d]oxazole
Database identifiers
- CAS
3574-02-5- PubChem CID
- 226507
- DTXSID
DTXSID80280469- Nikkaji
- J743.190B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 130 · 130-131 °C(Solv: water (7732-18-5); methanol (67-56-1))
- Boiling point
- 397 · 397.0±11.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 0.82 · 0.82±0.30(Predicted)
Chemistry & industry
Suppliers5 total
河南英田生物科技有限公司0370-4053511; 18339993703 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
河北瑞芯电子新材料有限公司+86-0139-6951888 +86-17733008830 · [email protected]
陕西利和同创化工科技有限公司029-81116050 17782851193 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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