Clofibric-d4 Acid

CAT: 0024-sc-217932Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-217932Size:1 mg

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CAS Number

1184991-14-7

Chemical Information

Clofibric-d4 Acid

CAS Number	1184991-14-7
PubChem CID	57369444
IUPAC Name	2-(4-chloro-2,3,5,6-tetradeuteriophenoxy)-2-methylpropanoic acid
Molecular Formula	C10H11ClO3
Molecular Weight	218.67
XLogP	2.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	207

SMILES

[2H]C1=C(C(=C(C(=C1OC(C)(C)C(=O)O)[2H])[2H])Cl)[2H]

InChI

InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)/i3D,4D,5D,6D

InChIKey

TXCGAZHTZHNUAI-LNFUJOGGSA-N

Chemical Structure

2D Structure

CAS: 1184991-14-7

CID: 57369444

Formula: C10H11ClO3

MW: 218.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.67
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	218.0647789
Monoisotopic Mass	218.0647789
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	207
Isotope Atom Count	4
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
sc-217931	Clofibric Acid-d4 Acyl-β-D-glucuronide
sc-203000A	Clofibric acid
sc-203000	Clofibric acid
sc-214747	Clofibric Acid Acyl-β-D-glucuronide
sc-257051	Acetic acid-d4
sc-488366	Indoleacetic Acid-d4
sc-257051B	Acetic acid-d4
sc-488132	Latanoprost Acid-d4
sc-481133B	Apovincaminic acid-d4
sc-495724	Glafenic Acid-d4