Cas no 1373354-34-7 ((3-Methyl-5-nitrophenyl)boronic acid)

(3-Methyl-5-nitrophenyl)boronic acid structure
1373354-34-7 structure
Product Name:(3-Methyl-5-nitrophenyl)boronic acid
CAS No:1373354-34-7
MF:C7H8BNO4
MW:180.953722000122
CID:4936759
PubChem ID:60055274
Update Time:2024-11-07

(3-Methyl-5-nitrophenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-METHYL-5-NITROPHENYL)BORONIC ACID
    • AB76624
    • EN300-1141793
    • DB-400452
    • SCHEMBL8297742
    • 3-methyl-5-nitrophenylboronic acid
    • B-(3-Methyl-5-nitrophenyl)boronic acid
    • 1373354-34-7
    • (3-METHYL-5-NITROPHENYL)BORONICACID
    • (3-Methyl-5-nitrophenyl)boronic acid
    • Inchi： 1S/C7H8BNO4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4,10-11H,1H3
    • InChI Key： MYTYCALTZBCOJC-UHFFFAOYSA-N
    • SMILES： OB(C1=CC(=CC(C)=C1)[N+](=O)[O-])O

Computed Properties

  • Exact Mass: 181.0546379g/mol
  • Monoisotopic Mass: 181.0546379g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 193
  • 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
  • Topological Polar Surface Area: 86.3

(3-Methyl-5-nitrophenyl)boronic acid Pricemore >>

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