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Pal-Glu(OH)-OBn structure
Pal-Glu(OH)-OBn structure

Pal-Glu(OH)-OBn

Iupac Name:(1R)-2-chloro-1-(2,4-dichlorophenyl)ethanol
CAS No.:114446-57-0
Molecular Weight:225.493
1. Names and Identifiers
1.1 Name
Pal-Glu(OH)-OBn
1.2 Synonyms

Pal-Glu(OH)-OBn

1.3 CAS No.
114446-57-0
1.4 CID
7003711
1.5 Molecular Formula
C23H24ClN3O5 (isomer)
1.6 Inchi
InChI=1S/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2/t8-/m0/s1
1.7 InChkey
XHEPANNURIQWRM-QMMMGPOBSA-N
1.8 Canonical Smiles
C1=CC(=C(C=C1Cl)Cl)C(CCl)O
1.9 Isomers Smiles
C1=CC(=C(C=C1Cl)Cl)[C@H](CCl)O
2. Properties
3.1 Melting Point
46-47 oC
3. Computational chemical data
  • Molecular Weight:225.493g/mol
  • Molecular Formula:C23H24ClN3O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.9
  • Exact Mass:223.956248
  • Monoisotopic Mass:223.956248
  • Complexity:142
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
4. Recommended Suppliers
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(R)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/02/23
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(R)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol In stock
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/02/25
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