Cas no 947156-18-5 (2-Chloro-4,6-bis(phenylmethoxy)benzoic acid)

2-Chloro-4,6-bis(phenylmethoxy)benzoic acid structure
947156-18-5 structure
Product Name:2-Chloro-4,6-bis(phenylmethoxy)benzoic acid
CAS No:947156-18-5
MF:C21H17ClO4
MW:368.810285329819
CID:2112365
Update Time:2023-08-04

2-Chloro-4,6-bis(phenylmethoxy)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2,?4-?Bis-?benzyloxy-?6-?chlorobenzoic acid
    • RUFUKGHVCJSSEX-UHFFFAOYSA-N
    • 2,4-bisbenzyloxy-6-chlorobenzoic acid
    • 2-Chloro-4,6-bis(phenylmethoxy)benzoic acid
    • Inchi: 1S/C21H17ClO4/c22-18-11-17(25-13-15-7-3-1-4-8-15)12-19(20(18)21(23)24)26-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,23,24)
    • InChI Key: RUFUKGHVCJSSEX-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=CC(=C1C(=O)O)OCC1C=CC=CC=1)OCC1C=CC=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 7
  • Complexity: 432
  • Topological Polar Surface Area: 55.8
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