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73219-89-3 | 3-Bromo-2,6-dimethoxybenzoic acid
CAS No: 73219-89-3 Catalog No: AG003J02 MDL No:MFCD00052933
Product Description
Catalog Number:
AG003J02
Chemical Name:
3-Bromo-2,6-dimethoxybenzoic acid
CAS Number:
73219-89-3
Molecular Formula:
C9H9BrO4
Molecular Weight:
261.0694
MDL Number:
MFCD00052933
IUPAC Name:
3-bromo-2,6-dimethoxybenzoic acid
InChI:
InChI=1S/C9H9BrO4/c1-13-6-4-3-5(10)8(14-2)7(6)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
CUQANLQRQJHIQE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C(=O)O)OC)Br
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.968g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.071g/mol
Monoisotopic Mass:
259.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| New Methods for Labeling RGD Peptides with Bromine-76. | Theranostics 20110101 |
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