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Home> Hot Product Listed T   > T6565919
956-30-9 structure

T6565919

Iupac Name:2-amino-N-(2-chloropyridin-3-yl)benzamide
CAS No.:956-30-9
Molecular Weight:247.682
Molecular Formula:C8H6F3NO3 (isomer)
Names and Identifiers
Synonyms

2-(2-cyanophenoxy)-n-cyclopentyl-n-methylacetamide AKOS008074582 MCULE-8122449904 MOLPORT-009-146-153 Z191831266 ZINC37022468

Inchi
InChI=1S/C12H10ClN3O/c13-11-10(6-3-7-15-11)16-12(17)8-4-1-2-5-9(8)14/h1-7H,14H2,(H,16,17)
InChkey
WGPYXKVYVYAEIM-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)C(=O)NC2=C(N=CC=C2)Cl)N
Properties
Refractive Index
1.701
Computational chemical data
  • Molecular Weight:247.682g/mol
  • Molecular Formula:C8H6F3NO3
  • Compound Is Canonicalized:True
  • Exact Mass:247.051
  • Monoisotopic Mass:247.051
  • Complexity:275
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:68A^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: AAADccBzIAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgIQAAAADArBmiQ8wJLIEACo AjV3VACCgCA1FiAI2CE4dtgIYPrB15HUIYhglADIyccYiACOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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