2-Bromododecanoic acid

CAT: 0024-sc-223434Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-223434Size:5 g

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CAS Number

111-56-8

Chemical Information

2-Bromododecanoic acid

CAS Number	111-56-8
PubChem CID	66980
IUPAC Name	2-bromododecanoic acid
Molecular Formula	C12H23BrO2
Molecular Weight	279.21
XLogP	5.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Heavy Atom Count	15
Formal Charge	0
Complexity	160

SMILES

CCCCCCCCCCC(C(=O)O)Br

InChI

InChI=1S/C12H23BrO2/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10H2,1H3,(H,14,15)

InChIKey

HXKXBCBZXXQPPD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-56-8

CID: 66980

Formula: C12H23BrO2

MW: 279.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.21
XLogP3	5.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Exact Mass	278.08814
Monoisotopic Mass	278.08814
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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