BENZAMIDE, 5-BROMO-2-(beta-HYDROXYPROPOXY)-

HCID 45016

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Basic information

CAS: 63887-03-6
Standard SMILES: NC(=O)c1cc(Br)ccc1OCCCO
InChIKey: NGFSDOXNEGVQEB-UHFFFAOYSA-N
Molecular formula: C10H12BrNO3
Average molar mass: 274.11 g/mol
Monoisotopic mass: 273.00006

Names & identifiers

Preferred name: BENZAMIDE, 5-BROMO-2-(beta-HYDROXYPROPOXY)-
IUPAC: 5-bromo-2-(3-hydroxypropoxy)benzamide
English name: 5-Bromo-2-(2-hydroxypropoxy)benzamide
Molecular formula: C10H12BrNO3
Molecular weight: 274.11

Names & synonyms

BENZAMIDE, 5-BROMO-2-(beta-HYDROXYPROPOXY)-5-bromo-2-(3-hydroxypropoxy)benzamideBRN 32887275-Bromo-2-(beta-hydroxypropoxy)benzamideDTXSID602134925-Bromo-2-(2-hydroxypropoxy)benzamideBenzamide, 5-bromo-2-(2-hydroxypropoxy)-

Database identifiers

CAS: 63887-03-6
PubChem CID: 45016
DTXSID: DTXSID60213492

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 213

Physicochemical properties

Boiling point: 391.1 · 391.1±37.0 °C(Predicted)
Density: 1.529 · 1.529±0.06 g/cm3(Predicted)
pka: 14.18 · 14.18±0.20(Predicted)

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