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Compound Fr12914

CAT: 0013-GTR19269856-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269856-02Size:5 mg
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Description
Compound Fr12914, with CAS No. 7463-32-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12914 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.
CAS Number
7463-32-3
Smiles
COC1=CC=C (Cl) C=C1NC (C) =O
Molecular Formula
C9H10ClNO2
Molecular Weight
199.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(5-Chloro-2-methoxyphenyl)acetamide
CAS Number7463-32-3
PubChem CID346203
IUPAC NameN-(5-chloro-2-methoxyphenyl)acetamide
Molecular FormulaC9H10ClNO2
Molecular Weight199.63
XLogP2
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity186
SMILES
CC(=O)NC1=C(C=CC(=C1)Cl)OC
InChI
InChI=1S/C9H10ClNO2/c1-6(12)11-8-5-7(10)3-4-9(8)13-2/h3-5H,1-2H3,(H,11,12)
InChIKey
WKZLKZPMUWYXTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(5-Chloro-2-methoxyphenyl)acetamide
CAS: 7463-32-3
CID: 346203
Formula: C9H10ClNO2
MW: 199.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.63
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass199.0400063
Monoisotopic Mass199.0400063
Topological Polar Surface Area38.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity186
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

Related Products

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GTR19269785-01Compound Fr12314
GTR19270005-01Compound Fr13919
GTR19269866-01Compound Fr12998
GTR19269864-01Compound Fr12986
GTR19269827-01Compound Fr12654
GTR19269826-01Compound Fr12616

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XXC35825-01Compound 3a
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PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
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