Cas no 3507-30-0 (2-Chloro-4-nitrobenzo[d]thiazole)

2-Chloro-4-nitrobenzo[d]thiazole structure
3507-30-0 structure
Product Name:2-Chloro-4-nitrobenzo[d]thiazole
CAS No:3507-30-0
MF:C7H3ClN2O2S
MW:214.628918886185
CID:295870
PubChem ID:45077769
Update Time:2025-04-19

2-Chloro-4-nitrobenzo[d]thiazole Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-4-nitrobenzo[d]thiazole
    • 2-chloro-4-nitro-1,3-benzothiazole
    • Benzothiazole,2-chloro-4-nitro-
    • 2-Chlor-4-nitro-benzothiazol
    • 2-chloranyl-4-nitro-1,3-benzothiazole
    • 2-chloro-4-nitro-benzothiazole
    • 3507-30-0
    • ROOKGSGAHAQZJW-UHFFFAOYSA-N
    • A822520
    • SCHEMBL4920165
    • DTXSID70663383
    • MDL: MFCD09743983
    • Inchi: 1S/C7H3ClN2O2S/c8-7-9-6-4(10(11)12)2-1-3-5(6)13-7/h1-3H
    • InChI Key: ROOKGSGAHAQZJW-UHFFFAOYSA-N
    • SMILES: ClC1=NC2C(=CC=CC=2S1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 213.96000
  • Monoisotopic Mass: 213.96
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 223
  • 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: 87A^2
  • XLogP3: 3.2

Experimental Properties

  • PSA: 86.95000
  • LogP: 3.38110

2-Chloro-4-nitrobenzo[d]thiazole Pricemore >>

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