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Ofurace

CAT: 0013-GTR19202185-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202185-01Size:25 mg
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Description
Ofurace
CAS Number
58810-48-3
Field of Research
Infectious Disease & Virology
Smiles
N (C (CCl) =O) (C1=C (C) C=CC=C1C) C2C (=O) OCC2
Molecular Formula
C14H16ClNO3
Molecular Weight
281.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ofurace

2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxotetrahydrofuran-3-yl)acetamide is an aromatic amide that is 2,6-dimethylaniline in which the two amino hydrogens are replaced by chloroacetyl and 2-oxotetrahydrofuran-3-yl groups. It is a tertiary carboxamide, a butan-4-olide, an organochlorine compound and an aromatic amide.

CAS Number58810-48-3
PubChem CID42850
IUPAC Name2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide
Molecular FormulaC14H16ClNO3
Molecular Weight281.73
XLogP2.7
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity351
SMILES
CC1=C(C(=CC=C1)C)N(C2CCOC2=O)C(=O)CCl
InChI
InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3
InChIKey
OWDLFBLNMPCXSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ofurace
CAS: 58810-48-3
CID: 42850
Formula: C14H16ClNO3
MW: 281.73
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight281.73
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass281.0818711
Monoisotopic Mass281.0818711
Topological Polar Surface Area46.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity351
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes