Cas no 503856-32-4 (Benzene, 1-(bromomethyl)-4-methyl-2-nitro-)

Benzene, 1-(bromomethyl)-4-methyl-2-nitro- structure
503856-32-4 structure
Product Name:Benzene, 1-(bromomethyl)-4-methyl-2-nitro-
CAS No:503856-32-4
MF:C8H8BrNO2
MW:230.058621406555
CID:1572413
PubChem ID:53403082
Update Time:2025-04-21

Benzene, 1-(bromomethyl)-4-methyl-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(bromomethyl)-4-methyl-2-nitro-
    • CS-0077267
    • G66142
    • 1-(BROMOMETHYL)-4-METHYL-2-NITROBENZENE
    • SCHEMBL12090352
    • DB-092758
    • 503856-32-4
    • EN300-247266
    • MDL： MFCD11848604
    • Inchi： 1S/C8H8BrNO2/c1-6-2-3-7(5-9)8(4-6)10(11)12/h2-4H,5H2,1H3
    • InChI Key： OQKAJZOGXNDEMX-UHFFFAOYSA-N
    • SMILES： BrCC1C=CC(C)=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 228.97384
  • Monoisotopic Mass: 228.97384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 169
  • 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: 2.7
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 43.14

Benzene, 1-(bromomethyl)-4-methyl-2-nitro- Pricemore >>

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Enamine
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