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Home> Hot Product Listed 2   > 2-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID
7048-38-6 structure

2-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID

Iupac Name:2-(5-chloro-2-methoxyphenyl)acetonitrile
CAS No.:7048-38-6
Molecular Weight:181.61892
Molecular Formula:C11H16BRCLN2O (isomer)
Names and Identifiers
Synonyms

3-Carboxy-2-iodobenzotrifluoride, 3-Carboxy-2-iodo-alpha,alpha,alpha-trifluorotoluene BUTTPARK 144\07-20

Inchi
InChI=1/C9H8ClNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4H2,1H3
Canonical Smiles
COC1=C(C=C(C=C1)Cl)CC#N
Properties
Refractive Index
1.536
Computational chemical data
  • Molecular Weight:181.61892g/mol
  • Molecular Formula:C11H16BRCLN2O
  • Exact Mass:181.029442
  • Monoisotopic Mass:181.029442
  • Complexity:186
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:33
  • 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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