Cas no 1321-07-9 (Benzoic acid, iodo-)

Benzoic acid, iodo- structure
Benzoic acid, iodo- structure
Product Name:Benzoic acid, iodo-
CAS No:1321-07-9
MF:C7H5IO2
MW:248.017874479294
CID:195416
PubChem ID:6941
Update Time:2025-04-19

Benzoic acid, iodo- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, iodo-
    • Iodobenzoicacid
    • FT-0612665
    • CS-D0909
    • 2-Iodobenzoic acid, purum, >=95.0% (GC)
    • USAF EK-572
    • 2-Iodobenzoic acid, >=99%, purified by sublimation
    • A15882
    • Iodobenzoic acid
    • Kyselina o-jodbenzoova2Iodobenzoic acid
    • Q2535469
    • InChI=1/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10
    • 2-(Iodo-(125)I)-benzoic acid
    • DTXSID6058976
    • FT-0659004
    • 88-67-5
    • O-IODOBENZOIC ACID [MI]
    • CHEMBL112424
    • 2-IODOBENZOIC ACID
    • Benzoic acid, 2-iodo
    • Maybridge1_001326
    • EINECS 201-850-7
    • 2-iodo benzoic acid
    • AM20041295
    • EN300-18255
    • 2iodobenzoic acid
    • 2 Iodobenzoic acid
    • o-Iodobenzoic acid
    • SY001344
    • F0001-2188
    • SRI-10864-03
    • AI3-01811
    • BRN 1861406
    • I0053
    • AA-506/30136037
    • 2-IODOBENZOICACID
    • MFCD00002419
    • STR04823
    • o-Jod-benzoesaeure
    • Benzoic acid, o-iodo-
    • 2-Iodobenzoic acid, 98%
    • W-100392
    • ortho-iodo benzoic acid
    • Benzoic acid, 2-iodo-
    • Kyselina o-jodbenzoova
    • NSC 3772
    • AC-26054
    • 2-Iodo-benzoic acid
    • Kyselina o-jodbenzoova [Czech]
    • Ortho-iodobenzoic acid
    • WLN: QVR BI
    • CHEBI:287979
    • 7Q00V80J7Q
    • NS00022866
    • NCGC00336388-01
    • Z57637028
    • HMS545E06
    • CCG-233561
    • BS-4598
    • 2-Jod-benzoesaeure
    • NSC3772
    • NSC-3772
    • UNII-7Q00V80J7Q
    • 1321-07-9
    • SCHEMBL40612
    • HY-77433
    • AKOS000119657
    • A20364
    • Inchi: 1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
    • InChI Key: CJNZAXGUTKBIHP-UHFFFAOYSA-N
    • SMILES: IC1C=CC=CC=1C(=O)O

Computed Properties

  • Exact Mass: 247.93295
  • Monoisotopic Mass: 247.933422
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 136
  • 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: 2.4
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • PSA: 37.3
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