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Home> Encyclopedia > Hot Product Listed Y   > YBJKAEFBOTWXOW-UHFFFAOYSA-N
338982-15-3 structure

YBJKAEFBOTWXOW-UHFFFAOYSA-N

Iupac Name:1-methyl-3-(trifluoromethyl)thieno[2,3-c]pyrazole-5-carboxylic acid
CAS No.:338982-15-3
Molecular Weight:250.195
Molecular Formula:C8H5F3N2O2S (isomer)
Names and Identifiers
Synonyms

0790AE 12L-521S 1-methyl-3-(trifluoromethyl)-1h-thieno[2,3-c]-pyrazole-5-carboxylic acid 1-methyl-3-(trifluoromethyl)-1h-thieno[2,3-c]pyrazole-5-carboxylic acid 1-methyl-3-trifluoromethyl-1h-thieno[2,3-c]-pyrazole-5-carboxylic acid 1-methyl-3-trifluoromethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid AJ-10622 AKOS000303230 c8h5f3n2o2s CCG-55704 CHEMBL1562001 DA-06700 HE178834 HMS1662D19 HMS2634K08 HMS3360N11 methyltrifluoromethylthienocpyrazolecarboxylicacid mfcd01814674 MLS000755243 MOLPORT-000-157-633 RP14248 SBB018283 SCHEMBL5924831 smr000338115 SR-01000644717-1 STK346992 ZINC82896

Inchi
InChI=1S/C8H5F3N2O2S/c1-13-6-3(2-4(16-6)7(14)15)5(12-13)8(9,10)11/h2H,1H3,(H,14,15)
InChkey
YBJKAEFBOTWXOW-UHFFFAOYSA-N
Canonical Smiles
CN1C2=C(C=C(S2)C(=O)O)C(=N1)C(F)(F)F
Computational chemical data
  • Molecular Weight:250.195g/mol
  • Molecular Formula:C8H5F3N2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:250.002
  • Monoisotopic Mass:250.002
  • Complexity:312
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Heavy Atom Count:16
  • 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
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Recommended Suppliers
  • Tel:+49 721 95061-0
  • Fax:+49 721 95061-80
  • Tel:44 161 406 0505
  • Fax:44 161 405 0506
  • Tel:(01457) 868921 (4 lines)
  • Fax:(01457) 869360/860927
  • Tel:(33) 4 70 03 88 55
  • Fax:(33) 4 70 03 82 60
  • Tel:+44 (0)1840 212137
  • Fax:+44 (0)1840 213712
  • Tel:1 888 463 6346
  • Fax:(908) 359-1179
  • Tel:+86-21-54098501
  • Fax:+86-21-54096319
 
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