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87154-54-9 | 1,3-Dioxolane, 2-(3-bromo-4,5-dimethoxyphenyl)-
CAS No: 87154-54-9 Catalog No: AG004TA0 MDL No:
Product Description
Catalog Number:
AG004TA0
Chemical Name:
1,3-Dioxolane, 2-(3-bromo-4,5-dimethoxyphenyl)-
CAS Number:
87154-54-9
Molecular Formula:
C11H13BrO4
Molecular Weight:
289.1225
IUPAC Name:
2-(3-bromo-4,5-dimethoxyphenyl)-1,3-dioxolane
InChI:
InChI=1S/C11H13BrO4/c1-13-9-6-7(11-15-3-4-16-11)5-8(12)10(9)14-2/h5-6,11H,3-4H2,1-2H3
InChI Key:
QGSIHBCIDOTZHU-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)Br)C1OCCO1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.125g/mol
Monoisotopic Mass:
288g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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