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1-Bromo-7-methyloctane

CAT: 0572-TRC-B180635-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B180635-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
54088-99-2
Hazard Statement
No Data Available
Smiles
CC(C)CCCCCCBr
Molecular Formula
C9 H19 Br
Molecular Weight
207.151
InChI
InChI=1S/C9H19Br/c1-9(2)7-5-3-4-6-8-10/h9H,3-8H2,1-2H3
Additionnal Information
IUPAC name: 1-bromo-7-methyloctane

Chemical Information

1-Bromo-7-methyloctane
CAS Number54088-99-2
PubChem CID13634781
IUPAC Name1-bromo-7-methyloctane
Molecular FormulaC9H19Br
Molecular Weight207.15
XLogP5.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity59
SMILES
CC(C)CCCCCCBr
InChI
InChI=1S/C9H19Br/c1-9(2)7-5-3-4-6-8-10/h9H,3-8H2,1-2H3
InChIKey
AILBUXWGBTVZKT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-7-methyloctane
CAS: 54088-99-2
CID: 13634781
Formula: C9H19Br
MW: 207.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.15
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Exact Mass206.06701
Monoisotopic Mass206.06701
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity59.7
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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