11-Chloroundecanoic acid

CAT: 0127-OR1050996-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1050996-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1860-44-2

MDL Number

MFCD00550321

Purity

95%

Smiles

O=C(O)CCCCCCCCCCCl

Chemical Information

Undecanoic acid, 11-chloro-

CAS Number	1860-44-2
PubChem CID	200380
IUPAC Name	11-chloroundecanoic acid
Molecular Formula	C11H21ClO2
Molecular Weight	220.73
XLogP	4.3
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(CCCCCCl)CCCCC(=O)O

InChI

InChI=1S/C11H21ClO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)

InChIKey

GVZXFVFTBUYBJD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1860-44-2

CID: 200380

Formula: C11H21ClO2

MW: 220.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.73
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Exact Mass	220.1230076
Monoisotopic Mass	220.1230076
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

Catalog	Name
U788852	Undecanoic-11,11,11-d3 Acid
HY-W098051	11-Methoxy-11-oxoundecanoic acid
P144526	Hexadecanoic-11,11-d2 Acid
AR-L07479-01	11,11-D2-Linoleic acid
HY-W142804	11-Hydroxyundecanoic acid
FB00994-01	11-Bromoundecanoic acid
TYD-00708-01	11-Mercaptoundecanoic acid
T17324	11-Maleimidoundecanoic acid
HY-165808	11-Methyltridecanoic acid
275098-01	11-Ethoxycarbonyldodecanoic acid