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191354-56-0 | 1,3-Dioxane, 4-(bromomethyl)-2,2-dimethyl-, (4S)-
CAS No: 191354-56-0 Catalog No: AG002F6Q MDL No:MFCD00672888
Product Description
Catalog Number:
AG002F6Q
Chemical Name:
1,3-Dioxane, 4-(bromomethyl)-2,2-dimethyl-, (4S)-
CAS Number:
191354-56-0
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
MDL Number:
MFCD00672888
IUPAC Name:
(4S)-4-(bromomethyl)-2,2-dimethyl-1,3-dioxane
InChI:
InChI=1S/C7H13BrO2/c1-7(2)9-4-3-6(5-8)10-7/h6H,3-5H2,1-2H3/t6-/m0/s1
InChI Key:
ZEWOLCKVOBXLLD-LURJTMIESA-N
SMILES:
BrC[C@@H]1CCOC(O1)(C)C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
208.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.083g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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