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88208-70-2 | Benzoic acid, 4-bromo-2,5-dimethoxy-3-methyl-, methyl ester
CAS No: 88208-70-2 Catalog No: AG004BML MDL No:
Product Description
Catalog Number:
AG004BML
Chemical Name:
Benzoic acid, 4-bromo-2,5-dimethoxy-3-methyl-, methyl ester
CAS Number:
88208-70-2
Molecular Formula:
C11H13BrO4
Molecular Weight:
289.1225
IUPAC Name:
methyl 4-bromo-2,5-dimethoxy-3-methylbenzoate
InChI:
InChI=1S/C11H13BrO4/c1-6-9(12)8(14-2)5-7(10(6)15-3)11(13)16-4/h5H,1-4H3
InChI Key:
QYIXFZUODOQWRF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(c(c1OC)C)Br
Properties
Complexity:
246
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:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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