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Home> Hot Product Listed F   > F2368-2776
776-53-4 structure

F2368-2776

Iupac Name:ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate
CAS No.:776-53-4
Molecular Weight:213.255
Molecular Formula:C12H13CLN2O (isomer)
Names and Identifiers
Synonyms

2-(4-fluorophenyl)-n-(5-(4-(methylsulfonyl)benzyl)-1,3,4-oxadiazol-2-yl)acetamide AKOS024643390 MCULE-9816589549 MOLPORT-009-690-956 ZINC35588413

Inchi
InChI=1S/C8H11N3O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3,(H2,9,10,11)
InChkey
QINRQIZOBCQKAZ-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CN=C(N=C1N)SC
Properties
Refractive Index
1.585
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 776-53-4 EC: F2368-2776 ·ECHA C&L Inventory for CAS: CAS: 776-53-4 EC: F2368-2776
Computational chemical data
  • Molecular Weight:213.255g/mol
  • Molecular Formula:C12H13CLN2O
  • Compound Is Canonicalized:True
  • Exact Mass:213.057
  • Monoisotopic Mass:213.057
  • Complexity:203
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:103A^2
  • Heavy Atom Count:14
  • 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: AAADccBzMABAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgQQAAAADADhmgavuJZIFAio AhL3bACA0ClVAKABUCEoTFCADIhAaEgGBIgKAAJAIOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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