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Home> Hot Product Listed 1   > 1H-Pyrazolium, 3-(4-methoxyphenyl)-1,2,5-trimethyl-, iodide
71881-80-6 structure

1H-Pyrazolium, 3-(4-methoxyphenyl)-1,2,5-trimethyl-, iodide

Iupac Name:3-amino-2-methylquinoline-4-carboxylic acid
CAS No.:71881-80-6
Molecular Weight:202.213
Molecular Formula:C14H10BR2O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C11H10N2O2/c1-6-10(12)9(11(14)15)7-4-2-3-5-8(7)13-6/h2-5H,12H2,1H3,(H,14,15)
InChkey
UOHNIVJCDQGCCY-UHFFFAOYSA-N
Canonical Smiles
CC1=NC2=CC=CC=C2C(=C1N)C(=O)O
Properties
Melting Point
204 °C
Refractive Index
1.716
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
36/37/39-26
Computational chemical data
  • Molecular Weight:202.213g/mol
  • Molecular Formula:C14H10BR2O2
  • Compound Is Canonicalized:True
  • Exact Mass:202.074
  • Monoisotopic Mass:202.074
  • Complexity:257
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:76.2A^2
  • Heavy Atom Count:15
  • 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: AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAQCAAADAiBngAyyPJIEgCo AyTyTACCgCAlEiAImCEwfNgIZvrAlZGUcYhmwAHI2Ue8yOCOgAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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