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13799-90-1 | 1,4-Benzenedicarboxylic acid, 2,5-dichloro-
CAS No: 13799-90-1 Catalog No: AG0017SQ MDL No:MFCD00058982
Product Description
Catalog Number:
AG0017SQ
Chemical Name:
1,4-Benzenedicarboxylic acid, 2,5-dichloro-
CAS Number:
13799-90-1
Molecular Formula:
C8H4Cl2O4
Molecular Weight:
235.0210
MDL Number:
MFCD00058982
IUPAC Name:
2,5-dichloroterephthalic acid
InChI:
InChI=1S/C8H4Cl2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key:
LMOSYFZLPBHEOW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cl)c(cc1Cl)C(=O)O
EC Number:
237-454-6
NSC Number:
59392
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.949g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.016g/mol
Monoisotopic Mass:
233.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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 |
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