Cas no 320740-34-9 (methyl 2-amino-3-bromo-4-methylbenzoate)

methyl 2-amino-3-bromo-4-methylbenzoate structure
320740-34-9 structure
Product Name:methyl 2-amino-3-bromo-4-methylbenzoate
CAS No:320740-34-9
MF:C9H10BrNO2
MW:244.085201740265
MDL:MFCD24150709
CID:1449270
PubChem ID:81709232
Update Time:2025-04-20

methyl 2-amino-3-bromo-4-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-amino-3-bromo-4-methyl-, methyl ester
    • methyl 2-amino-3-bromo-4-methylbenzoate
    • EN300-3001870
    • MFCD24150709
    • 320740-34-9
    • F86717
    • 2-Amino-3-bromo-4-methyl-benzoic acid methyl ester
    • SCHEMBL25208567
    • DTXSID401278165
    • SY315223
    • AKOS020289440
    • MDL: MFCD24150709
    • Inchi: 1S/C9H10BrNO2/c1-5-3-4-6(9(12)13-2)8(11)7(5)10/h3-4H,11H2,1-2H3
    • InChI Key: CAILNYUDWDRPKW-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C(=O)OC)C=CC=1C)N

Computed Properties

  • Exact Mass: 242.9895
  • Monoisotopic Mass: 242.98949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 198
  • 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: 52.3?2

Experimental Properties

  • PSA: 52.32

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