2-Benzoxazolinone, 5-chloro-6-methoxy-
Basic information
- CAS
1750-47-6- Standard SMILES
COc1cc2oc(=O)[nH]c2cc1Cl- InChIKey
QQQYQWNSMUHSCK-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3
- Average molar mass
- 199.59 g/mol
- Monoisotopic mass
- 199.0036207
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 5-chloro-6-methoxy-
- IUPAC
- 5-chloro-6-methoxy-3H-1,3-benzoxazol-2-one
- English name
- 5-Chloro-6-methoxy-2,3-dihydrobenzoxazole-2-one
- Molecular formula
- C8H6ClNO3
- Molecular weight
- 199.59
Names & synonyms
5-Chloro-6-methoxy-2-benzoxazolinone1750-47-6BRN 09130742-BENZOXAZOLINONE, 5-CHLORO-6-METHOXY-DTXSID20169921RefChem:256432DTXCID90924125-chloro-6-methoxy-3H-1,3-benzoxazol-2-one5-Chloro-6-methoxy-2,3-dihydrobenzoxazole-2-one5-Chloro-6-methoxybenzo[d]oxazol-2(3H)-one2(3H)-Benzoxazolone, 5-chloro-6-methoxy-SCHEMBL29999104
Show more names
5-Chloro-6-methoxybenzoxazol-2(3H)-one
5-Chloro-6-methoxy-2(3H)-benzoxazolone5-Chloro-6-methoxy-1,3-benzoxazol-2(3H)-one
Database identifiers
- CAS
1750-47-6- PubChem CID
- 15636
- DTXSID
DTXSID20169921- Nikkaji
- J41.860I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 225 · 225-227 °C
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- pka
- 7.69 · 7.69±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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