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130792-45-9 | 3,5-Cyclohexadiene-1,2-diol, 3-bromo-, (1S,2S)-
CAS No: 130792-45-9 Catalog No: AG000UYC MDL No:MFCD00216512
Product Description
Catalog Number:
AG000UYC
Chemical Name:
3,5-Cyclohexadiene-1,2-diol, 3-bromo-, (1S,2S)-
CAS Number:
130792-45-9
Molecular Formula:
C6H7BrO2
Molecular Weight:
191.0226
MDL Number:
MFCD00216512
IUPAC Name:
(1S,2S)-3-bromocyclohexa-3,5-diene-1,2-diol
InChI:
InChI=1S/C6H7BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6+/m0/s1
InChI Key:
KLPGXZKAVBGFGF-NTSWFWBYSA-N
SMILES:
O[C@H]1[C@@H](O)C=CC=C1Br
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
189.963g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.024g/mol
Monoisotopic Mass:
189.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Investigation of steric and functionality limits in the enzymatic dihydroxylation of benzoate esters. Versatile intermediates for the synthesis of pseudo-sugars, amino cyclitols, and bicyclic ring systems. | Organic & biomolecular chemistry 20090621 |
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