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1-Bromooctadecane

CAT: 0572-TRC-B687365-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B687365-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112-89-0
Synonyms
1-Bromo-octadecane; NSC 5542; Octadecyl Bromide; Stearyl Bromide; n-Octadecyl Bromide
Hazard Statement
No Data Available
Smiles
CCCCCCCCCCCCCCCCCCBr
Molecular Formula
C18H37Br
Molecular Weight
333.39
Shipping Conditions
Room Temperature

Chemical Information

1-Bromooctadecane

1-Bromooctadecane has been reported in Vernonanthura patens with data available.

CAS Number112-89-0
PubChem CID8218
IUPAC Name1-bromooctadecane
Molecular FormulaC18H37Br
Molecular Weight333.4
XLogP10.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count16
Heavy Atom Count19
Formal Charge0
Complexity145
SMILES
CCCCCCCCCCCCCCCCCCBr
InChI
InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKey
WSULSMOGMLRGKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromooctadecane
CAS: 112-89-0
CID: 8218
Formula: C18H37Br
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP310.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count16
Exact Mass332.20786
Monoisotopic Mass332.20786
Topological Polar Surface Area0 Ų
Heavy Atom Count19
Formal Charge0
Complexity145
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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