1,2-Dibromo-2-Methylpropane

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CAS Number

594-34-3

Synonyms

1,2-dibromo-2-methylpropane

Purity

98%

Smiles

CC(C)(CBr)Br

Chemical Information

Propane, 1,2-dibromo-2-methyl-

CAS Number	594-34-3
PubChem CID	222657
IUPAC Name	1,2-dibromo-2-methylpropane
Molecular Formula	C4H8Br2
Molecular Weight	215.91
XLogP	2.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	40

SMILES

CC(C)(CBr)Br

InChI

InChI=1S/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3

InChIKey

SDTXSEXYPROZSZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 594-34-3

CID: 222657

Formula: C4H8Br2

MW: 215.91

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.91
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	215.89723
Monoisotopic Mass	213.89928
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	40.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes