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88164-94-7 | 1,2-Cyclohexanediol, 3,4,5-tribromo-3-(bromomethyl)-, diacetate
CAS No: 88164-94-7 Catalog No: AG004EZ7 MDL No:
Product Description
Catalog Number:
AG004EZ7
Chemical Name:
1,2-Cyclohexanediol, 3,4,5-tribromo-3-(bromomethyl)-, diacetate
CAS Number:
88164-94-7
Molecular Formula:
C11H18Br4O6
Molecular Weight:
565.8730
IUPAC Name:
acetic acid;3,4,5-tribromo-3-(bromomethyl)cyclohexane-1,2-diol
InChI:
InChI=1S/C7H10Br4O2.2C2H4O2/c8-2-7(11)5(10)3(9)1-4(12)6(7)13;2*1-2(3)4/h3-6,12-13H,1-2H2;2*1H3,(H,3,4)
InChI Key:
QSTYTFYMTIJNKA-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.BrCC1(Br)C(O)C(O)CC(C1Br)Br
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
565.78g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
565.875g/mol
Monoisotopic Mass:
561.784g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
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