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Compound Fr14432

CAT: 0931-Fr14432-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14432-01Size:100 mg
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CAS Number
89999-90-6
Bioactivity
Compound Fr14432, with CAS No. 89999-90-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14432 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
Oc1cccc(Cl)c1C#N
Molecular Formula
C7H4ClNO
Molecular Weight
153.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Chloro-6-hydroxybenzonitrile
CAS Number89999-90-6
PubChem CID4407995
IUPAC Name2-chloro-6-hydroxybenzonitrile
Molecular FormulaC7H4ClNO
Molecular Weight153.56
XLogP2.3
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity162
SMILES
C1=CC(=C(C(=C1)Cl)C#N)O
InChI
InChI=1S/C7H4ClNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
InChIKey
QAZAWPCTVDEZCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-6-hydroxybenzonitrile
CAS: 89999-90-6
CID: 4407995
Formula: C7H4ClNO
MW: 153.56
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight153.56
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass152.9981414
Monoisotopic Mass152.9981414
Topological Polar Surface Area44 Ų
Heavy Atom Count10
Formal Charge0
Complexity162
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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