Beclobrate

CAT: 0127-BUP08431-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP08431-02Size:10 mg

Selected

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

Quick Request Actions

CAS Number

55937-99-0

Synonyms

Sgd 24774

Purity

=98%

Smiles

O=C(OCC)C(OC1=CC=C(C=C1)CC2=CC=C(Cl)C=C2)(C)CC

Chemical Information

Beclobrate

Beclobrate is a diarylmethane.

CAS Number	55937-99-0
PubChem CID	51348
IUPAC Name	ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate
Molecular Formula	C20H23ClO3
Molecular Weight	346.8
XLogP	5.8
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	24
Formal Charge	0
Complexity	384

SMILES

CCC(C)(C(=O)OCC)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H23ClO3/c1-4-20(3,19(22)23-5-2)24-18-12-8-16(9-13-18)14-15-6-10-17(21)11-7-15/h6-13H,4-5,14H2,1-3H3

InChIKey

YWQGBCXVCXMSLJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55937-99-0

CID: 51348

Formula: C20H23ClO3

MW: 346.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	346.8
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	346.1335723
Monoisotopic Mass	346.1335723
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	384
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

Catalog	Name
GTR19243940-01	Beclobrate