Cas no 80479-93-2 (Benzenepentadecanoicacid, 4-iodo-)

Benzenepentadecanoicacid, 4-iodo- structure
80479-93-2 structure
Product Name:Benzenepentadecanoicacid, 4-iodo-
CAS No:80479-93-2
MF:C21H33IO2
MW:444.38999915123
CID:722893
PubChem ID:123810
Update Time:2025-04-19

Benzenepentadecanoicacid, 4-iodo- Chemical and Physical Properties

Names and Identifiers

    • Benzenepentadecanoicacid, 4-iodo-
    • 15-(4-IODOPHENYL)PENTADECANOIC ACID
    • 123I-Pppa
    • benzenepentadecanoic acid,4-iodo
    • Iocanlidic acid
    • IPPA
    • Oippda
    • p-Ippa
    • 80479-93-2
    • Iodo-para-phenyldecanoic acid
    • 15-(p-iodophenyl)pentadecanoic acid
    • SR-01000945061-1
    • FT-0758109
    • CHEMBL128251
    • Naphthalene, 1-fluoro-7-methoxy-
    • SCHEMBL290025
    • 15-(4-IODOPHENYL)PENTADECANECARBOXYLIC ACID (IPPA)
    • DTXSID70230357
    • omega-(4-iodophenyl)pentadecanoic acid
    • omega-(4-iodophenyl)pentadecanoic-acid
    • SR-01000945061
    • omega-(p-Iodophenyl)pentadecanoic acid
    • 4-(Iodophenyl)pentadecanoic acid
    • CS-0455941
    • MFCD00040778
    • 15-(4-iodophenyl)-pentadecanecarboxylic acid
    • Benzenepentadecanoic acid, 4-(iodo-123I)-
    • MDL: MFCD00040778
    • Inchi: 1S/C21H33IO2/c22-20-17-15-19(16-18-20)13-11-9-7-5-3-1-2-4-6-8-10-12-14-21(23)24/h15-18H,1-14H2,(H,23,24)
    • InChI Key: YAONEUNUMVOKNQ-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=CC=1)CCCCCCCCCCCCCCC(=O)O

Computed Properties

  • Exact Mass: 444.15300
  • Monoisotopic Mass: 444.153
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 15
  • Complexity: 298
  • 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: 8.5
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.256
  • Melting Point: 94-95°C
  • Boiling Point: 498.7°C at 760 mmHg
  • Flash Point: 255.4°C
  • Refractive Index: 1.537
  • PSA: 37.30000
  • LogP: 6.98960

Benzenepentadecanoicacid, 4-iodo- Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

Benzenepentadecanoicacid, 4-iodo- Pricemore >>

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