Clofibrate

CAT: 0127-BUP17771-04Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP17771-04Size:5 g

Selected

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

Quick Request Actions

CAS Number

637-07-0

Synonyms

Clofibrato, Clofibratum, Ethyl clofibrate

Purity

=98%

Smiles

CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1

Chemical Information

Clofibrate

Clofibrate can cause cancer according to state or federal government labeling requirements.

CAS Number	637-07-0
PubChem CID	2796
IUPAC Name	ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Molecular Formula	C12H15ClO3
Molecular Weight	242.70
XLogP	3.3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	232

SMILES

CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3

InChIKey

KNHUKKLJHYUCFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 637-07-0

CID: 2796

Formula: C12H15ClO3

MW: 242.70

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.70
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	242.0709720
Monoisotopic Mass	242.0709720
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	232
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
B3610-10000	Clofibrate