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Compound FL0174

CAT: 0931-FL0174-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0174-02Size:5 mg
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CAS Number
89581-64-6
Bioactivity
Compound FL0174, with CAS No. 89581-64-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0174 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
COC(=O)c1cc(Cl)n[nH]c1=O
Molecular Formula
C6H5ClN2O3
Molecular Weight
188.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 6-chloro-3-oxo-2,3-dihydropyridazine-4-carboxylate
CAS Number89581-64-6
PubChem CID67477802
IUPAC Namemethyl 3-chloro-6-oxo-1H-pyridazine-5-carboxylate
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57
XLogP0.4
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity295
SMILES
COC(=O)C1=CC(=NNC1=O)Cl
InChI
InChI=1S/C6H5ClN2O3/c1-12-6(11)3-2-4(7)8-9-5(3)10/h2H,1H3,(H,9,10)
InChIKey
WHXBMYDYRJIIMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 6-chloro-3-oxo-2,3-dihydropyridazine-4-carboxylate
CAS: 89581-64-6
CID: 67477802
Formula: C6H5ClN2O3
MW: 188.57
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.57
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass187.9988697
Monoisotopic Mass187.9988697
Topological Polar Surface Area67.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity295
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
FL0170-01Compound FL0170
FL0154-01Compound FL0154
FL0184-01Compound FL0184
FL0175-01Compound FL0175
FL0185-01Compound FL0185
FL0158-01Compound FL0158
FL0121-01Compound FL0121
FL0115-01Compound FL0115
FL0072-01Compound FL0072
FL0183-01Compound FL0183

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