Clozic

CAT: 0127-BUP11997-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11997-02Size:10 mg

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CAS Number

22494-47-9

Synonyms

Clobuzarit, ICI 55897

Purity

=98%

Smiles

C(OC(C(O)=O)(C)C)C1=CC=C(C=C1)C2=CC=C(Cl)C=C2

Chemical Information

Clobuzarit

Clobuzarit is a member of biphenyls and an organochlorine compound.

CAS Number	22494-47-9
PubChem CID	71697
IUPAC Name	2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoic acid
Molecular Formula	C17H17ClO3
Molecular Weight	304.8
XLogP	4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	340

SMILES

CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20)

InChIKey

UGOFYAXVVVXMQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22494-47-9

CID: 71697

Formula: C17H17ClO3

MW: 304.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.8
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	304.0866221
Monoisotopic Mass	304.0866221
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	340
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