CAS 114341-88-7

Please Wait

Applying Filters...

Also known as: 114341-88-7, 3-(2-bromopropionyl)-4,4-dimethyloxazolidin-2-one, 2-oxazolidinone, 3-(2-bromo-1-oxopropyl)-4,4-dimethyl-, Ec 430-820-8, Schembl7109925, 3-(2-bromopropionoyl)-4,4-dimethyl-1,3-oxazolan-2-one

Molecular Formula

C₈H₁₂BrNO₃

Molecular Weight

250.09 g/mol

InChI Key

MCVHDVANTPAEAA-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-bromopropanoyl)-4,4-dimethyl-1,3-oxazolidin-2-one

2.1.2 InChI

InChI=1S/C8H12BrNO3/c1-5(9)6(11)10-7(12)13-4-8(10,2)3/h5H,4H2,1-3H3

2.1.3 InChI Key

MCVHDVANTPAEAA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C(=O)N1C(=O)OCC1(C)C)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 114341-88-7

2. 3-(2-bromopropionyl)-4,4-dimethyloxazolidin-2-one

3. 2-oxazolidinone, 3-(2-bromo-1-oxopropyl)-4,4-dimethyl-

4. Ec 430-820-8

5. Schembl7109925

6. 3-(2-bromopropionoyl)-4,4-dimethyl-1,3-oxazolan-2-one

7. Dtxsid70431867

8. Db-203617

9. Ns00021534

10. F16770

11. 3-(2'-bromopropionyl)-4,4-dimethyloxazolidin-2-one

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₂BrNO₃
Molecular Weight	250.09 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	46.6
Heavy Atom Count	13
Formal Charge	0
Complexity	252
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Contact us
to update this info

CAS 114341-88-7

CHEMISTRY

Discover Molecule Insights

Filters