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1-Bromo-2,2-dimethylpropane

CAT: 0572-TRC-B391975-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B391975-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
630-17-1
Synonyms
2,2-Dimethyl-1-bromopropane; 2,2-Dimethylpropyl bromide; Neopentyl bromide
Hazard Statement
Highly flammable liquid and vapour; UN number: UN1993; Packing Group: II
Smiles
CC(C)(C)CBr
Molecular Formula
C5H11Br
Molecular Weight
151.04
Shipping Conditions
Room Temperature

Chemical Information

1-Bromo-2,2-dimethylpropane

structure given in first source

CAS Number630-17-1
PubChem CID12415
IUPAC Name1-bromo-2,2-dimethylpropane
Molecular FormulaC5H11Br
Molecular Weight151.04
XLogP2.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity33
SMILES
CC(C)(C)CBr
InChI
InChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3
InChIKey
CQWYAXCOVZKLHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-2,2-dimethylpropane
CAS: 630-17-1
CID: 12415
Formula: C5H11Br
MW: 151.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.04
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass150.00441
Monoisotopic Mass150.00441
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity33.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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