Cas no 13852-53-4 ( )

  structure
  structure
Product Name: 
CAS No:13852-53-4
MF:C7H7ClN2O2
MW:186.595680475235
CID:902293
PubChem ID:291627
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 3-CHLORO-6-METHYL-2-NITROANILINE
    • o-Toluidine, 5-chloro-6-nitro-
    • NSC-156950
    • NSC156950
    • DB-357033
    • DTXSID20303146
    • Benzenamine, 3-chloro-6-methyl-2-nitro-
    • J-512300
    • CS-D0189
    • AKOS024256527
    • 13852-53-4
    •  
    • Inchi: 1S/C7H7ClN2O2/c1-4-2-3-5(8)7(6(4)9)10(11)12/h2-3H,9H2,1H3
    • InChI Key: DKUCSJAKXOTDCM-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(C)=C(C=1[N+](=O)[O-])N

Computed Properties

  • Exact Mass: 186.01971
  • Monoisotopic Mass: 186.0196052g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 183
  • 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: 2.6
  • Topological Polar Surface Area: 71.8?2

Experimental Properties

  • PSA: 69.16

  Pricemore >>

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