Compound EN300-6735793

CAT: 0931-TPL0543-01Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0931-TPL0543-01Size:200 mg

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

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CAS Number

21567-18-0

Bioactivity

Compound EN300-6735793, with CAS No. 21567-18-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-6735793 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

Smiles

OC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1

Molecular Formula

C12H9ClO2

Molecular Weight

220.65

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-(4-Chlorophenoxy)phenol

CAS Number	21567-18-0
PubChem CID	12346120
IUPAC Name	4-(4-chlorophenoxy)phenol
Molecular Formula	C12H9ClO2
Molecular Weight	220.65
XLogP	4
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	182

SMILES

C1=CC(=CC=C1O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H9ClO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H

InChIKey

XQMRZWSYBUCVAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21567-18-0

CID: 12346120

Formula: C12H9ClO2

MW: 220.65

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	220.65
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	220.0291072
Monoisotopic Mass	220.0291072
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	182
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

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Alternative Products

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GTR19280022-01	Compound EN300-88285
GTR19280020-01	Compound EN300-06260
GTR19280017-01	Compound EN300-24646
GTR19280015-01	Compound EN300-62851
GTR19270227-01	Compound EN300-24520
GTR19270223-01	Compound EN300-113927
GTR19270222-01	Compound EN300-219925
GTR19270221-01	Compound EN300-365455
GTR19270233-01	Compound EN300-1724756
GTR19280023-01	Compound EN300-121824

Compound EN300-6735793

Chemical Information

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