6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one
Basic information
- CAS
52042-27-0- Standard SMILES
O=C1COc2ccc(Cl)cc2N1CC(O)CO- InChIKey
XDCFGLSPLPULQH-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO4
- Average molar mass
- 257.67 g/mol
- Monoisotopic mass
- 257.0454856
Names & identifiers
- Preferred name
- 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 6-chloro-4-(2,3-dihydroxypropyl)-1,4-benzoxazin-3-one
- English name
- 6-Chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-one
- Molecular formula
- C11H12ClNO4
- Molecular weight
- 257.67
Names & synonyms
52042-27-0DTXSID509664006-chloro-4-(2,3-dihydroxypropyl)-2H-1,4-benzoxazin-3(4H)-oneRefChem:1073877DTXCID701394037BRN 12196123-Oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-6-Chloro-4-(2,3-dihydroxypropyl)-2,3-dihydro-4H-1,4-benzoxazin-3-one4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-6-CHLORO-4-(2,3-DIHYDROXYPROPYL)-SCHEMBL11826964AKOS021168582
Show more names
DB-3070386-Chloro-4-(2,3-dihydroxypropyl )-2h-1,4-benzoxazin-3(4h)-one
Database identifiers
- CAS
52042-27-0- PubChem CID
- 40204
- DTXSID
DTXSID50966400- Nikkaji
- J67.833C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
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Compound notes
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