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Compound PDK0155

CAT: 0931-PDK0155-03Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0155-03Size:200 mg
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CAS Number
2770-11-8
Bioactivity
Compound PDK0155, with CAS No. 2770-11-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0155 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
Nc1ccccc1Oc1ccc(Cl)cc1
Molecular Formula
C12H10ClNO
Molecular Weight
219.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(4-Chlorophenoxy)aniline
CAS Number2770-11-8
PubChem CID76010
IUPAC Name2-(4-chlorophenoxy)aniline
Molecular FormulaC12H10ClNO
Molecular Weight219.66
XLogP3.1
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity192
SMILES
C1=CC=C(C(=C1)N)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClNO/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,14H2
InChIKey
QKKBREBZMUFUDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Chlorophenoxy)aniline
CAS: 2770-11-8
CID: 76010
Formula: C12H10ClNO
MW: 219.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.66
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass219.0450916
Monoisotopic Mass219.0450916
Topological Polar Surface Area35.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity192
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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