Basic information
- CAS
2139-00-6- Standard SMILES
COc1cc2oc(N)nc2cc1Cl- InChIKey
GOYJQKVVEOIVCJ-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O2
- Average molar mass
- 198.6 g/mol
- Monoisotopic mass
- 198.0196052
Names & identifiers
- Preferred name
- Benzoxazole, 2-amino-5-chloro-6-methoxy-
- IUPAC
- 5-chloro-6-methoxy-1,3-benzoxazol-2-amine
- English name
- 5-chloro-6-methoxy-benzooxazol-2-amine
- Molecular formula
- C8H7ClN2O2
- Molecular weight
- 198.61
Names & synonyms
2139-00-6BRN 0910541BENZOXAZOLE, 2-AMINO-5-CHLORO-6-METHOXY-2-Amino-5-chloro-6-methoxybenzoxazoleDTXSID10175652RefChem:328264DTXCID90981435-chloro-6-methoxy-1,3-benzoxazol-2-amine2-Benzoxazolamine,5-chloro-6-methoxy-5-chloro-6-methoxy-benzooxazol-2-amine5-Chloro-6-methoxybenzoxazol-2-amine2-Benzoxazolamine, 5-chloro-6-methoxy-
Show more names
5-Chloro-6-Methoxybenzo[d]oxazol-2-aMine
Database identifiers
- CAS
2139-00-6- PubChem CID
- 16499
- DTXSID
DTXSID10175652- Nikkaji
- J41.894C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 195 · 195-215 °C (decomp)
- Boiling point
- 352.1 · 352.1±45.0 °C(Predicted)
- Density
- 1.4664 · 1.4664 (rough estimate)
- refractive index
- 1.556 · 1.5560 (estimate)
- pka
- 0.21 · 0.21±0.30(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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