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Compound Fr16628

CAT: 0931-Fr16628-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr16628-01Size:100 mg
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CAS Number
13589-72-5
Bioactivity
Compound Fr16628, with CAS No. 13589-72-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16628 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=C(C=C(Cl)C=C1)C#N
Molecular Formula
C7H4ClNO
Molecular Weight
153.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Chloro-2-hydroxybenzonitrile
CAS Number13589-72-5
PubChem CID2777420
IUPAC Name5-chloro-2-hydroxybenzonitrile
Molecular FormulaC7H4ClNO
Molecular Weight153.56
XLogP2.7
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=C1Cl)C#N)O
InChI
InChI=1S/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
InChIKey
XWQDMIXVAYAZGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-hydroxybenzonitrile
CAS: 13589-72-5
CID: 2777420
Formula: C7H4ClNO
MW: 153.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.56
XLogP32.7
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

Related Products

CatalogName
Fr16678-01Compound Fr16678
Fr16682-01Compound Fr16682
Fr16668-01Compound Fr16668
Fr16625-01Compound Fr16625
Fr16658-01Compound Fr16658
Fr16620-01Compound Fr16620
Fr16698-01Compound Fr16698
Fr16622-01Compound Fr16622
Fr13628-01Compound Fr13628
Fr16638-01Compound Fr16638

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-14176-01Compound E
255023-01Compound 401
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254
MBS3613444-01Compound W
MBS3613725-01Compound 3344
MBS3613756-01Compound 23

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