11-Bromoundecanoic Acid

CAT: 0127-OR1009320-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1009320-01Size:25 g

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CAS Number

2834-05-1

MDL Number

MFCD00002732

Purity

98%

Smiles

OC(=O)CCCCCCCCCCBr

Chemical Information

11-Bromoundecanoic acid

11-bromo-undecanoic acid is a medium-chain fatty acid.

CAS Number	2834-05-1
PubChem CID	17812
IUPAC Name	11-bromoundecanoic acid
Molecular Formula	C11H21BrO2
Molecular Weight	265.19
XLogP	4.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Heavy Atom Count	14
Formal Charge	0
Complexity	137

SMILES

C(CCCCCBr)CCCCC(=O)O

InChI

InChI=1S/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)

InChIKey

IUDGNRWYNOEIKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2834-05-1

CID: 17812

Formula: C11H21BrO2

MW: 265.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.19
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Exact Mass	264.07249
Monoisotopic Mass	264.07249
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	137
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes