Cas no 652997-56-3 (Benzonitrile, 4-iodo-3-methoxy-)

Benzonitrile, 4-iodo-3-methoxy- structure
652997-56-3 structure
Product Name:Benzonitrile, 4-iodo-3-methoxy-
CAS No:652997-56-3
MF:C8H6INO
MW:259.043814182281
CID:400793
PubChem ID:23076760
Update Time:2025-08-03

Benzonitrile, 4-iodo-3-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 4-iodo-3-methoxy-
    • 4-iodo-3-methoxybenzonitrile
    • EN300-6777548
    • 652997-56-3
    • DTXSID80630309
    • CBB99756
    • CS-0377852
    • SCHEMBL6072170
    • Z1269177439
    • PNVBLOSDBCTTKD-UHFFFAOYSA-N
    • Inchi： 1S/C8H6INO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3
    • InChI Key： PNVBLOSDBCTTKD-UHFFFAOYSA-N
    • SMILES： IC1=CC=C(C#N)C=C1OC

Computed Properties

  • Exact Mass: 258.94898
  • Monoisotopic Mass: 258.94941g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 174
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • PSA: 33.02

Benzonitrile, 4-iodo-3-methoxy- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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4-Iodo-3-methoxybenzonitrile
 652997-56-3 97%
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Crysdot LLC
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Enamine
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 652997-56-3 95.0%
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 652997-56-3 95.0%
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 $257.0 2025-03-12
Enamine
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4-iodo-3-methoxybenzonitrile
 652997-56-3 95.0%
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 $367.0 2025-03-12
Enamine
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4-iodo-3-methoxybenzonitrile
 652997-56-3 95.0%
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 $579.0 2025-03-12
Enamine
EN300-6777548-1.0g
4-iodo-3-methoxybenzonitrile
 652997-56-3 95.0%
1.0g
 $743.0 2025-03-12
Enamine
EN300-6777548-2.5g
4-iodo-3-methoxybenzonitrile
 652997-56-3 95.0%
2.5g
 $1454.0 2025-03-12
Enamine
EN300-6777548-5.0g
4-iodo-3-methoxybenzonitrile
 652997-56-3 95.0%
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Enamine
EN300-6777548-10.0g
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