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Home> Hot Product Listed T   > T6651124
7569-58-6 structure

T6651124

Iupac Name:2-(3-chloro-4-methoxyphenyl)acetonitrile
CAS No.:7569-58-6
Molecular Weight:181.619
Molecular Formula:C33H29N3 (isomer)
Names and Identifiers
Synonyms

MCULE-8743899009 MOLPORT-009-173-324 n-{3-[(2-methoxy-5-sulfamoylphenyl)carbamoyl]phenyl}oxolane-2-carboxamide Z298345404

Inchi
InChI=1S/C9H8ClNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
InChkey
CDNWEVUZHGBTIV-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=C(C=C1)CC#N)Cl
Properties
Refractive Index
1.536
Computational chemical data
  • Molecular Weight:181.619g/mol
  • Molecular Formula:C33H29N3
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.8
  • Exact Mass:181.029
  • Monoisotopic Mass:181.029
  • Complexity:186
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:12
  • 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
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Recommended Suppliers
  • Tel:1-631-5046093
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  • Fax:+1-(801)-226-8496
 
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