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26050-64-6 | Benzoic acid, 4-bromo-3,5-dimethoxy-, methyl ester
CAS No: 26050-64-6 Catalog No: AG002RI9 MDL No:MFCD06628784
Product Description
Catalog Number:
AG002RI9
Chemical Name:
Benzoic acid, 4-bromo-3,5-dimethoxy-, methyl ester
CAS Number:
26050-64-6
Molecular Formula:
C10H11BrO4
Molecular Weight:
275.0959
MDL Number:
MFCD06628784
IUPAC Name:
methyl 4-bromo-3,5-dimethoxybenzoate
InChI:
InChI=1S/C10H11BrO4/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5H,1-3H3
InChI Key:
DBPNSECLVZPWET-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(c(c1)OC)Br
EC Number:
247-433-3
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.098g/mol
Monoisotopic Mass:
273.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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