Benzoxazole, 5-chloro-2-methoxy-
Basic information
- CAS
31080-68-9- Standard SMILES
COc1nc2cc(Cl)ccc2o1- InChIKey
SCYNFLAVUZUFTM-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO2
- Average molar mass
- 183.59 g/mol
- Monoisotopic mass
- 183.0087061
Names & identifiers
- Preferred name
- Benzoxazole, 5-chloro-2-methoxy-
- IUPAC
- 5-chloro-2-methoxy-1,3-benzoxazole
- English name
- 5-Chloro-2-methoxybenzoxazole
- Molecular formula
- C8H6ClNO2
- Molecular weight
- 183.59
Names & synonyms
31080-68-9BENZOXAZOLE, 5-CHLORO-2-METHOXY-5-Chloro-2-methoxybenzoxazoleBRN 0511483DTXSID60185029RefChem:328284DTXCID201075205-Chloro-2-methoxybenzo[d]oxazole5-chloro-2-methoxy-1,3-benzoxazoleSCHEMBL13071912SCHEMBL315589002-methoxy-5-chlorobenzo[d]oxazole
Show more names
AO-185/13957009
Database identifiers
- CAS
31080-68-9- PubChem CID
- 35729
- DTXSID
DTXSID60185029- Nikkaji
- J41.888I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- storage temp.
- 2 · 2-8°C
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Compound notes
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