2-Benzoxazolinone, 5-chloro-3-((dimethylamino)methyl)-

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Basic information

CAS: 19986-35-7
Standard SMILES: CN(C)Cn1c(=O)oc2ccc(Cl)cc21
InChIKey: DXPMJCLOFQOSSS-UHFFFAOYSA-N
Molecular formula: C10H11ClN2O2
Average molar mass: 226.66 g/mol
Monoisotopic mass: 226.0509053

Names & identifiers

Preferred name: 2-Benzoxazolinone, 5-chloro-3-((dimethylamino)methyl)-
IUPAC: 5-chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2-one
English name: 5-Chloro-3-[(dimethylamino)methyl]benzoxazol-2(3H)-one
Molecular formula: C10H11ClN2O2
Molecular weight: 226.66

Names & synonyms

19986-35-7BRN 12156912-BENZOXAZOLINONE, 5-CHLORO-3-((DIMETHYLAMINO)METHYL)-5-Chloro-3-(dimethylaminomethyl)-2-benzoxazolinoneDTXSID20173801RefChem:256430DTXCID30962925-Chloro-3-[(dimethylamino)methyl]benzoxazol-2(3H)-one5-chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2-one5-Chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2(3H)-one2(3H)-Benzoxazolone, 5-chloro-3-[(dimethylamino)methyl]-

Database identifiers

CAS: 19986-35-7
PubChem CID: 29895
DTXSID: DTXSID20173801
Nikkaji: J41.867F

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 260

Physicochemical properties

Density: 1.3494 · 1.3494 (rough estimate)
refractive index: 1.55 · 1.5500 (estimate)

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Compound notes

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