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13-Bromo-1-tridecanol

CAT: 0572-TRC-B699455-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B699455-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116754-58-6
Hazard Statement
No Data Available
Smiles
OCCCCCCCCCCCCCBr
Molecular Formula
C13 H27 Br O
Molecular Weight
279.257
InChI
InChI=1S/C13H27BrO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2
Additionnal Information
IUPAC name: 13-bromotridecan-1-ol
Shipping Conditions
Room Temperature

Chemical Information

13-Bromo-1-tridecanol
CAS Number116754-58-6
PubChem CID1636619
IUPAC Name13-bromotridecan-1-ol
Molecular FormulaC13H27BrO
Molecular Weight279.26
XLogP5.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count12
Heavy Atom Count15
Formal Charge0
Complexity107
SMILES
C(CCCCCCO)CCCCCCBr
InChI
InChI=1S/C13H27BrO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2
InChIKey
FJBCXJNCEVECEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 13-Bromo-1-tridecanol
CAS: 116754-58-6
CID: 1636619
Formula: C13H27BrO
MW: 279.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.26
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count12
Exact Mass278.12453
Monoisotopic Mass278.12453
Topological Polar Surface Area20.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity107
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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