AKOS027361153

Iupac Name：2-(7-methoxy-2-oxochromen-4-yl)acetic acid

CAS No.: 62935-72-2

Molecular Weight：234.207

Modify Date.: 2022-03-19 00:40

1. Names and Identifiers

1.1 Name: AKOS027361153
1.2 Synonyms: 6-amino-5-(difluoromethyl)-2-fluoronicotinic acid AK366160

1.6 Inchi: InChI=1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14)

2. Properties

3. Safety and Handling

4. MSDS

no data available

no data available

5. Computational chemical data

Molecular Weight: 234.207g/mol
Molecular Formula: C_₆H_₃Cl_₃N_₂O
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 234.05282342
Monoisotopic Mass: 234.05282342
Complexity: 360
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 5
Topological Polar Surface Area: 72.8
Heavy Atom Count: 17
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAGgAACAAADASAmAIyDoAABgCIAiDSCAACCAAgIAAIiAEGCMgMJzKEMRqCeiClwBUIqQeI7KzOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

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