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Home> Hot Product Listed M   > MOLPORT-007-165-386
22346-43-6 structure

MOLPORT-007-165-386

Iupac Name:4-hydroxy-7-(methylamino)naphthalene-2-sulfonic acid
CAS No.:22346-43-6
Molecular Weight:253.272
Molecular Formula:C16H22N2O2 (isomer)
Names and Identifiers
Synonyms

3-(6,8-dichloro-4-oxo-3,4-dihydroquinazolin-3-yl)-n-phenylpropanamide 3-(6,8-dichloro-4-oxoquinazolin-3-yl)-n-phenylpropanamide AKOS016898027 MCULE-8906031909 PB220123658 Z220046190 ZINC45697093

Inchi
InChI=1S/C11H11NO4S/c1-12-8-2-3-10-7(4-8)5-9(6-11(10)13)17(14,15)16/h2-6,12-13H,1H3,(H,14,15,16)
InChkey
ZCNCWYFISJTFHB-UHFFFAOYSA-N
Canonical Smiles
CNC1=CC2=CC(=CC(=C2C=C1)O)S(=O)(=O)O
Properties
Refractive Index
1.714
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:253.272g/mol
  • Molecular Formula:C16H22N2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.2
  • Exact Mass:253.041
  • Monoisotopic Mass:253.041
  • Complexity:364
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:95A^2
  • 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: AAADccByOABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHgQQCAAADAyB2AQyx8LAAoKA AiRCQHDCAEAhIgAIiJgObIgIJiLCkZOEcAhk0BFI2AeQ0LMOmAABxAAYAAAwAAOIADAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:+91 22 2497 4400, 2497 4401
  • Fax:+91 22 2495 0588, 2495 1098
  • Tel:+86-571-85370188
  • Fax:86-571-85185580 85188497
  • Tel:+86-571-87396430 87396432
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  • Tel:+86-371- 55366292
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