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209806-87-1 | Butane, 1,4-dibromo-2-(methoxymethoxy)-, (2S)-
CAS No: 209806-87-1 Catalog No: AG002KES MDL No:
Product Description
Catalog Number:
AG002KES
Chemical Name:
Butane, 1,4-dibromo-2-(methoxymethoxy)-, (2S)-
CAS Number:
209806-87-1
Molecular Formula:
C6H12Br2O2
Molecular Weight:
275.9663
IUPAC Name:
(1S)-4-bromo-1-[(1S)-4-bromo-2-(bromomethyl)-1-methoxybutoxy]-2-(bromomethyl)-1-methoxybutane
InChI:
InChI=1S/C12H22Br4O3/c1-17-11(9(7-15)3-5-13)19-12(18-2)10(8-16)4-6-14/h9-12H,3-8H2,1-2H3/t9?,10?,11-,12-/m0/s1
InChI Key:
DGUZQAQNKIBGTN-QQFIATSDSA-N
SMILES:
COCO[C@@H](CCBr)CBr
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
533.826g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
533.921g/mol
Monoisotopic Mass:
529.83g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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