Cas no 116069-92-2 (Benzene, 1-(bromomethyl)-3-methyl-5-nitro-)

Benzene, 1-(bromomethyl)-3-methyl-5-nitro- structure
116069-92-2 structure
Product Name:Benzene, 1-(bromomethyl)-3-methyl-5-nitro-
CAS No:116069-92-2
MF:C8H8BrNO2
MW:230.058621406555
CID:1205293
PubChem ID:23001419
Update Time:2025-04-20

Benzene, 1-(bromomethyl)-3-methyl-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(bromomethyl)-3-methyl-5-nitro-
    • 1-(bromomethyl)-3-methyl-5-nitrobenzene
    • 5-methyl-3-nitrobenzyl bromide
    • SCHEMBL1099443
    • 5-Methyl-3-nitrobenzylbromide
    • 3-methyl-5-nitrobenzyl bromide
    • 116069-92-2
    • DTXSID30629506
    • HAZNQZPKIIYODB-UHFFFAOYSA-N
    • EN300-4263435
    • DB-306799
    • Inchi: 1S/C8H8BrNO2/c1-6-2-7(5-9)4-8(3-6)10(11)12/h2-4H,5H2,1H3
    • InChI Key: HAZNQZPKIIYODB-UHFFFAOYSA-N
    • SMILES: BrCC1C=C(C=C(C)C=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: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • 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)-3-methyl-5-nitro- Pricemore >>

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