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5-methyl-2-phenyl-1H-imidazol-4-ol structure
5-methyl-2-phenyl-1H-imidazol-4-ol structure

5-methyl-2-phenyl-1H-imidazol-4-ol

Iupac Name:tert-butyl (3R,4R)-3-bromo-4-hydroxypyrrolidine-1-carboxylate
CAS No.:252574-02-0
Molecular Weight:266.135
1. Names and Identifiers
1.1 Name
5-methyl-2-phenyl-1H-imidazol-4-ol
1.2 Synonyms

1H-Imidazol-4-ol,5-methyl-2-phenyl

1.3 CAS No.
252574-02-0
1.4 CID
73553706
1.5 Molecular Formula
C8H8O5S2 (isomer)
1.6 Inchi
InChI=1S/C9H16BrNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5H2,1-3H3/t6-,7-/m1/s1
1.7 InChkey
JVRIILICSFSOJD-RNFRBKRXSA-N
1.8 Canonical Smiles
CC(C)(C)OC(=O)N1CC(C(C1)Br)O
1.9 Isomers Smiles
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)Br)O
2. Computational chemical data
  • Molecular Weight:266.135g/mol
  • Molecular Formula:C8H8O5S2
  • Compound Is Canonicalized:True
  • Exact Mass:265.031
  • Monoisotopic Mass:265.031
  • Complexity:227
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.8A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByMAAAEAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgBACAABzFThgAYCCAMABgAI AAAAGAAAAAAAAAAAAAAIACACEAAAgAAMQAACBgCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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2-Methyl-2-propanyl (3R,4R)-3-bromo-4-hydroxy-1-pyrrolidinecarbox ylate
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/02/25
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252574-02-0
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/02/23
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2-Methyl-2-propanyl (3R,4R)-3-bromo-4-hydroxy-1-pyrrolidinecarbox ylate
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/04/01
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2-Methyl-2-propanyl (3R,4R)-3-bromo-4-hydroxy-1-pyrrolidinecarbox ylate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/01
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