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Home> Hot Product Listed B   > BIONET1_002153
72510-04-4 structure

BIONET1_002153

CAS No.:72510-04-4
Molecular Weight:266.276
Molecular Formula:C13H10F2N2O2 (isomer)
Names and Identifiers
Synonyms

2-(2,5-dichlorophenyl)sulfanyl-n-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide 2-[(2,5-dichlorophenyl)sulfanyl]-n-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide 7K-615S AC1LS8RJ AC1Q4JHA AKOS005098351 HMS574H15 KS-00003CXB MOLPORT-001-817-171 ZINC1397853

Inchi
InChI=1S/C16H11NO3/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17/h3-7H,1-2,8H2/p+1
InChkey
DFQOXFIPAAMFAU-UHFFFAOYSA-O
Canonical Smiles
C1C[N+]2=CC3=CC4=C(C=C3C5=CC(=CC1=C52)O)OCO4
Safety and Handling
Safety Statements
Poison by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
Computational chemical data
  • Molecular Weight:266.276g/mol
  • Molecular Formula:C13H10F2N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:266.082
  • Monoisotopic Mass:266.082
  • Complexity:403
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:42.6A^2
  • Heavy Atom Count:20
  • 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: AAADccB6MAAAAAAAAAAAAAAAAAAAAWJAAAA8YIAAAAAAAFix/AAAHgAACAAADAzBngc8zvMMFgCg AzRnRACCiCAxICAA2CAuzJgdJuLGsZukcCpkwBHO+Aew0PMOoEADAAASQABAgAYAACSAAAAAAAAA AA==
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  • Tel:86-28-85249238
  • Fax:86-28-85377358
  • Tel:+86-0311-66562153
  • Fax:
  • Tel:0086-028-85249238
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  • Tel:86-28-87075086 028-81703128
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