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136760-22-0 | Ethanol, 2,2,2-tribromo-1-(1,1-dimethylethoxy)-, 1-acetate
CAS No: 136760-22-0 Catalog No: AG0012BE MDL No:
Product Description
Catalog Number:
AG0012BE
Chemical Name:
Ethanol, 2,2,2-tribromo-1-(1,1-dimethylethoxy)-, 1-acetate
CAS Number:
136760-22-0
Molecular Formula:
C8H13Br3O3
Molecular Weight:
396.8990
IUPAC Name:
acetic acid;2,2,2-tribromo-1-[(2-methylpropan-2-yl)oxy]ethanol
InChI:
InChI=1S/C6H11Br3O2.C2H4O2/c1-5(2,3)11-4(10)6(7,8)9;1-2(3)4/h4,10H,1-3H3;1H3,(H,3,4)
InChI Key:
LUDWUOXUYXBAMA-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C(Br)(Br)Br)OC(C)(C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.85g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
414.916g/mol
Monoisotopic Mass:
411.852g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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