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201743-52-4 | 1,3-Dioxane, 4-(bromomethyl)-2-phenyl-, (4S)-
CAS No: 201743-52-4 Catalog No: AG0027TI MDL No:
Product Description
Catalog Number:
AG0027TI
Chemical Name:
1,3-Dioxane, 4-(bromomethyl)-2-phenyl-, (4S)-
CAS Number:
201743-52-4
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
IUPAC Name:
(4S)-4-(bromomethyl)-2-phenyl-1,3-dioxane
InChI:
InChI=1S/C11H13BrO2/c12-8-10-6-7-13-11(14-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11?/m0/s1
InChI Key:
LZPOSTLTDVMAGB-VUWPPUDQSA-N
SMILES:
BrC[C@@H]1CCOC(O1)c1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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