Cas no 72908-02-2 ((4-chloro-2-methyl-3,5-dinitrophenyl)methanol)

(4-chloro-2-methyl-3,5-dinitrophenyl)methanol structure
72908-02-2 structure
Product Name:(4-chloro-2-methyl-3,5-dinitrophenyl)methanol
CAS No:72908-02-2
MF:C8H7ClN2O5
MW:246.60458111763
MDL:MFCD07852067
CID:3109112
PubChem ID:9118391
Update Time:2025-04-21

(4-chloro-2-methyl-3,5-dinitrophenyl)methanol Chemical and Physical Properties

Names and Identifiers

    • (4-chloro-2-methyl-3,5-dinitrophenyl)methanol
    • Benzenemethanol, 4-chloro-2-methyl-3,5-dinitro-
    • CS-0241903
    • XCA90802
    • Z168876636
    • G35886
    • C8H7ClN2O5
    • 72908-02-2
    • EN300-24067
    • 850-447-8
    • SCHEMBL11565759
    • AKOS001214948
    • SJNNZMBYMXBMSS-UHFFFAOYSA-N
    • 4-chloro-2-methyl-3,5-dinitrobenzyl alcohol
    • MDL： MFCD07852067
    • Inchi： 1S/C8H7ClN2O5/c1-4-5(3-12)2-6(10(13)14)7(9)8(4)11(15)16/h2,12H,3H2,1H3
    • InChI Key： SJNNZMBYMXBMSS-UHFFFAOYSA-N
    • SMILES： C1(CO)=CC([N+]([O-])=O)=C(Cl)C([N+]([O-])=O)=C1C

Computed Properties

  • Exact Mass: 246.0043490Da
  • Monoisotopic Mass: 246.0043490Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 289
  • 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: 1.7
  • Topological Polar Surface Area: 112?2

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