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1-Bromo-5,5-dimethylhexane

CAT: 0926-QAA89891-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-QAA89891-01Size:50 mg
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CAS Number
15898-91-6
MDL Number
MFCD02258462
Smiles
CC (C) (C) CCCCBr
Molecular Formula
C8H17Br
Molecular Weight
193.12 g/mol
Controlled
No

Chemical Information

1-Bromo-5,5-dimethylhexane
CAS Number15898-91-6
PubChem CID23457840
IUPAC Name1-bromo-5,5-dimethylhexane
Molecular FormulaC8H17Br
Molecular Weight193.12
XLogP4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity61
SMILES
CC(C)(C)CCCCBr
InChI
InChI=1S/C8H17Br/c1-8(2,3)6-4-5-7-9/h4-7H2,1-3H3
InChIKey
QVJRTJIUPXFNSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-5,5-dimethylhexane
CAS: 15898-91-6
CID: 23457840
Formula: C8H17Br
MW: 193.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.12
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass192.05136
Monoisotopic Mass192.05136
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity61.5
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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