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873297-76-8 | 1,3-Dioxolane, 4,5-bis(4-bromophenyl)-2,2-dimethyl-, (4S,5S)-
CAS No: 873297-76-8 Catalog No: AG004ONW MDL No:
Product Description
Catalog Number:
AG004ONW
Chemical Name:
1,3-Dioxolane, 4,5-bis(4-bromophenyl)-2,2-dimethyl-, (4S,5S)-
CAS Number:
873297-76-8
Molecular Formula:
C17H16Br2O2
Molecular Weight:
412.1157
IUPAC Name:
(4S,5S)-4,5-bis(4-bromophenyl)-2,2-dimethyl-1,3-dioxolane
InChI:
InChI=1S/C17H16Br2O2/c1-17(2)20-15(11-3-7-13(18)8-4-11)16(21-17)12-5-9-14(19)10-6-12/h3-10,15-16H,1-2H3/t15-,16-/m0/s1
InChI Key:
REAMGYWTLUGICF-HOTGVXAUSA-N
SMILES:
CC1(C)O[C@H]([C@@H](O1)c1ccc(cc1)Br)c1ccc(cc1)Br
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
411.95g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.121g/mol
Monoisotopic Mass:
409.952g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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