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89097-39-2 | Acetic acid, [(5,7-dibromo-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-
CAS No: 89097-39-2 Catalog No: AG003ZYQ MDL No:
Product Description
Catalog Number:
AG003ZYQ
Chemical Name:
Acetic acid, [(5,7-dibromo-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-
CAS Number:
89097-39-2
Molecular Formula:
C11H10Br2O5
Molecular Weight:
382.0021
IUPAC Name:
2-[(5,7-dibromo-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetic acid
InChI:
InChI=1S/C11H10Br2O5/c1-11(2)17-9-6(13)3-5(12)8(10(9)18-11)16-4-7(14)15/h3H,4H2,1-2H3,(H,14,15)
InChI Key:
CISOQKLLDOMOTN-UHFFFAOYSA-N
SMILES:
OC(=O)COc1c(Br)cc(c2c1OC(O2)(C)C)Br
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.887g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.004g/mol
Monoisotopic Mass:
379.889g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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