Basic information
- CAS
2275-07-2- Standard SMILES
O=c1oc2cc(Cl)ccc2n1CO- InChIKey
PYDBIEBVVJRJRV-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3
- Average molar mass
- 199.59 g/mol
- Monoisotopic mass
- 199.0036207
Overview
6-chloro-3-(hydroxymethyl)benzoxazolin-2-one is a carbamate ester, an organochlorine compound and a member of 1,3-benzoxazoles.
Names & identifiers
- Preferred name
- 6-Chloro-3-(hydroxymethyl)-2(3H)-benzoxazolone
- IUPAC
- 6-chloro-3-(hydroxymethyl)-1,3-benzoxazol-2-one
- English name
- 6-chloro-3-(hydroxymethyl)benzoxazol-2(3H)-one
- Molecular formula
- C8H6ClNO3
- Molecular weight
- 199.59114
Names & synonyms
2275-07-26-Chloro-3-(hydroxymethyl)-2-benzoxazolinone2(3H)-BENZOXAZOLONE, 6-CHLORO-3-(HYDROXYMETHYL)-DTXSID20177288RefChem:1073876DTXCID10997796-Chloro-3-(hydroxymethyl)-2(3H)-benzoxazolone218-891-16-Chloro-3-(hydroxymethyl)benzoxazol-2(3H)-one6-chloro-3-(hydroxymethyl)-1,3-benzoxazol-2-one6-chloro-3-(hydroxymethyl)-1,3-benzoxazol-2(3H)-one6-chloro-3-(hydroxymethyl)benzoxazolin-2-one
Show more names
BRN 1111149Hydroxymethyl-6-chlorobenzoxazoloneEINECS 218-891-12-Benzoxazolinone, 6-chloro-3-(hydroxymethyl)-SCHEMBL10987080CHEBI:38811PYDBIEBVVJRJRV-UHFFFAOYSA-NSTK526863
Database identifiers
- CAS
2275-07-2- PubChem CID
- 16772
- DTXSID
DTXSID20177288- ChEBI
CHEBI:38811- EC Number
- 218-891-1
- Nikkaji
- J213.158G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 346.7 · 346.7±52.0 °C(Predicted)
- Density
- 1.563 · 1.563±0.06 g/cm3(Predicted)
- pka
- 13.48 · 13.48±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: 6-chloro-3-(hydroxymethyl)benzoxazolin-2-one is an organochlorine compound, a carbamate ester and a member of 1,3-benzoxazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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