Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6671453
127919-73-7 structure

T6671453

Iupac Name:ethyl 4-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CAS No.:127919-73-7
Molecular Weight:234.23
Molecular Formula:C15H16N4O5S (isomer)
Names and Identifiers
Synonyms

AKOS028252759 MCULE-8240926438 methyl 4-{[(prop-2-en-1-yl)carbamoyl]amino}benzoate MOLPORT-009-060-953 Z433922662 ZINC48008597

Inchi
InChI=1S/C12H11FN2O2/c1-2-17-12(16)11-10(7-14-15-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15)
InChkey
JYHCVFKLNTXLFO-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=C(C=NN1)C2=CC=C(C=C2)F
Computational chemical data
  • Molecular Weight:234.23g/mol
  • Molecular Formula:C15H16N4O5S
  • Compound Is Canonicalized:True
  • Exact Mass:234.08
  • Monoisotopic Mass:234.08
  • Complexity:267
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:55A^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: AAADccBzMQAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHwAYAAAADAjhng4+iJBjBACq AzT3SASSBAAmgAAYuSGgTNgKJrKA9dmDtQBkyAEI6Qe8yOCOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
 
<