Cas no 1214361-12-2 (Methyl 3-chloro-5-(trifluoromethyl)benzoate)

Methyl 3-chloro-5-(trifluoromethyl)benzoate structure
1214361-12-2 structure
Product Name:Methyl 3-chloro-5-(trifluoromethyl)benzoate
CAS No:1214361-12-2
MF:C9H6ClF3O2
MW:238.590952396393
CID:829437
PubChem ID:46311109
Update Time:2025-04-19

Methyl 3-chloro-5-(trifluoromethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-chloro-5-(trifluoromethyl)benzoate
    • AK100290
    • ANW-70383
    • CTK8C3669
    • KB-256440
    • SureCN630815
    • E90959
    • DTXSID30673206
    • CS-0191568
    • 1214361-12-2
    • Methyl3-chloro-5-(trifluoromethyl)benzoate
    • DB-360742
    • Benzoic acid, 3-chloro-5-(trifluoromethyl)-, methyl ester
    • 3-Chloro-5-(trifluoromethyl)benzoic acid methyl ester
    • SCHEMBL630815
    • MDL： MFCD14698015
    • Inchi： 1S/C9H6ClF3O2/c1-15-8(14)5-2-6(9(11,12)13)4-7(10)3-5/h2-4H,1H3
    • InChI Key： IGVFZOBJVRSBOE-UHFFFAOYSA-N
    • SMILES： ClC1C=C(C(=O)OC)C=C(C(F)(F)F)C=1

Computed Properties

  • Exact Mass: 238.0008416g/mol
  • Monoisotopic Mass: 238.0008416g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 242
  • 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: 3.3
  • Topological Polar Surface Area: 26.3?2

Methyl 3-chloro-5-(trifluoromethyl)benzoate Pricemore >>

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Crysdot LLC
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