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586-35-6 | 2-Bromoterephthalic acid
CAS No: 586-35-6 Catalog No: AG003370 MDL No:MFCD00002403
Product Description
Catalog Number:
AG003370
Chemical Name:
2-Bromoterephthalic acid
CAS Number:
586-35-6
Molecular Formula:
C8H5BrO4
Molecular Weight:
245.0269
MDL Number:
MFCD00002403
IUPAC Name:
2-bromoterephthalic acid
InChI:
InChI=1S/C8H5BrO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
QPBGNSFASPVGTP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Br)C(=O)O
EC Number:
209-572-8
NSC Number:
3985
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.937g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.028g/mol
Monoisotopic Mass:
243.937g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Two-step adsorption on jungle-gym-type porous coordination polymers: dependence on hydrogen-bonding capability of adsorbates, ligand-substituent effect, and temperature. | Inorganic chemistry 20101101 |
| 1,3-Di-4-pyrid-ylpropane-2-hydroxy-benzene-1,4-dicarboxylic acid (1/2). | Acta crystallographica. Section E, Structure reports online 20081201 |
| Dipolar molecular rotors in the metal-organic framework crystal IRMOF-2. | Physical chemistry chemical physics : PCCP 20080914 |
| (6,3)-honeycomb structures of uranium(VI) benzenedicarboxylate derivatives: the use of noncovalent interactions to prevent interpenetration. | Inorganic chemistry 20070806 |
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