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Home> Hot Product Listed T   > T6742915
688012-07-9 structure

T6742915

Iupac Name:2,5-dichloro-N-(3-chloropropyl)-N-methylaniline
CAS No.:688012-07-9
Molecular Weight:252.563g/mol
Molecular Formula:C5H12CLN (isomer)
Names and Identifiers
Synonyms

MCULE-5988294790 MOLPORT-009-149-947 n-(2,5-dimethylphenyl)-2-[(1-phenylcyclobutyl)amino]acetamide Z212141782 ZINC58145387

Inchi
InChI=1S/C10H12Cl3N/c1-14(6-2-5-11)10-7-8(12)3-4-9(10)13/h3-4,7H,2,5-6H2,1H3
InChkey
CELNBLGHPUUPLA-UHFFFAOYSA-N
Canonical Smiles
CN(CCCCl)C1=C(C=CC(=C1)Cl)Cl
Isomers Smiles
CN(CCCCl)C1=C(C=CC(=C1)Cl)Cl
Computational chemical data
  • Molecular Weight:252.563g/molg/mol
  • Molecular Formula:C5H12CLN
  • Compound Is Canonicalized:True
  • Exact Mass:251.004
  • Monoisotopic Mass:251.004
  • Complexity:165
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:3.2A^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: AAADccByAAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIAAAAACAvBEGQywIMAAACA ACRCQACCAAAhBwAIiAAIZogIICLBk5HEIAhggADIyAcQAAAAAAAQAAIAABAAACAABAAAIAAAAAAA AA==
 
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