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Home> Encyclopedia > Hot Product Listed 5   > 5625-35C
1187169-39-6 structure

5625-35C

Iupac Name:(4-butylphenyl)-(6-chloropyridin-3-yl)methanone
CAS No.:1187169-39-6
Molecular Weight:273.76
Molecular Formula:C16H16ClNO (isomer)
Names and Identifiers
Synonyms

(4-butylphenyl)(6-chloropyridin-3-yl)methanone 5-(4-butylbenzoyl)-2-chloropyridine AK418569 AKOS016019590 BG01566778 mfcd07775832 ZINC45038780

Inchi
InChI=1S/C16H16ClNO/c1-2-3-4-12-5-7-13(8-6-12)16(19)14-9-10-15(17)18-11-14/h5-11H,2-4H2,1H3
InChkey
NETFNRUZCKDQRG-UHFFFAOYSA-N
Canonical Smiles
CCCCC1=CC=C(C=C1)C(=O)C2=CN=C(C=C2)Cl
Computational chemical data
  • Molecular Weight:273.76g/mol
  • Molecular Formula:C16H16ClNO
  • Compound Is Canonicalized:True
  • Exact Mass:273.092
  • Monoisotopic Mass:273.092
  • Complexity:287
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:30A^2
  • Heavy Atom Count:19
  • 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: AAADceB6IAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgIAAAAADAbBmiQ+gJIIEACo ArB3RACCgCA1ByAI2CE4ZtgIIPrBl5GEIYhggADIyccYicCOQAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
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