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Compound Fr12178

CAT: 0013-GTR19269775-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269775-02Size:200 mg
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Description
Compound Fr12178, with CAS No. 131-91-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12178 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
131-91-9
Purity
96.62% (May vary between batches)
Smiles
Oc1ccc2ccccc2c1N=O
Molecular Formula
C10H7NO2
Molecular Weight
173.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Nitroso-2-naphthol

1-Nitroso-2-naphthol is a member of naphthols.

CAS Number131-91-9
PubChem CID8580
IUPAC Name1-nitrosonaphthalen-2-ol
Molecular FormulaC10H7NO2
Molecular Weight173.17
XLogP2.3
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity195
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=O)O
InChI
InChI=1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H
InChIKey
YXAOOTNFFAQIPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Nitroso-2-naphthol
CAS: 131-91-9
CID: 8580
Formula: C10H7NO2
MW: 173.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight173.17
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass173.047678466
Monoisotopic Mass173.047678466
Topological Polar Surface Area49.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity195
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