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2-Bromohexadecanoic Acid

CAT: 1596-AR-D07437-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D07437-03Size:50 Units
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CAS Number
18263-25-7
Molecular Formula
C16H31BrO2
Molecular Weight
335.33
API Name
Dodecanoic acid

Chemical Information

2-Bromohexadecanoic acid

2-bromohexadecanoic acid is a bromo fatty acid that is hexadecanoic (palmitic) acid carrying a single bromo substituent at position 2. It has a role as a fatty acid oxidation inhibitor. It is a 2-bromocarboxylic acid, a long-chain fatty acid, a straight-chain fatty acid and a bromo fatty acid. It is functionally related to a hexadecanoic acid.

CAS Number18263-25-7
PubChem CID82145
IUPAC Name2-bromohexadecanoic acid
Molecular FormulaC16H31BrO2
Molecular Weight335.32
XLogP7.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity207
SMILES
CCCCCCCCCCCCCCC(C(=O)O)Br
InChI
InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
InChIKey
DPRAYRYQQAXQPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromohexadecanoic acid
CAS: 18263-25-7
CID: 82145
Formula: C16H31BrO2
MW: 335.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.32
XLogP37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass334.15074
Monoisotopic Mass334.15074
Topological Polar Surface Area37.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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