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Compound Fr13832

CAT: 0931-Fr13832-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13832-02Size:25 mg
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CAS Number
14543-43-2
Bioactivity
Compound Fr13832, with CAS No. 14543-43-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13832 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
NC1=CC(=CC=C1O)C#N
Molecular Formula
C7H6N2O
Molecular Weight
134.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Amino-4-hydroxybenzonitrile
CAS Number14543-43-2
PubChem CID271258
IUPAC Name3-amino-4-hydroxybenzonitrile
Molecular FormulaC7H6N2O
Molecular Weight134.14
XLogP0.9
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity160
SMILES
C1=CC(=C(C=C1C#N)N)O
InChI
InChI=1S/C7H6N2O/c8-4-5-1-2-7(10)6(9)3-5/h1-3,10H,9H2
InChIKey
ZEWCASRNRWXXSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-4-hydroxybenzonitrile
CAS: 14543-43-2
CID: 271258
Formula: C7H6N2O
MW: 134.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.14
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass134.048012819
Monoisotopic Mass134.048012819
Topological Polar Surface Area70 Ų
Heavy Atom Count10
Formal Charge0
Complexity160
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
Fr13830-01Compound Fr13830
Fr13432-01Compound Fr13432
Fr13532-01Compound Fr13532
Fr13822-01Compound Fr13822
Fr13812-01Compound Fr13812
Fr13823-01Compound Fr13823
Fr13632-01Compound Fr13632
Fr13838-01Compound Fr13838
Fr13831-01Compound Fr13831
Fr13802-01Compound Fr13802

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254

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