tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium

C28H16Cl8O12Ti — CID 170560520

IUPACtetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
SMILESO=C(O)c1cc(Cl)cc(Cl)c1O.O=C(O)c1cc(Cl)cc(Cl)c1O.O=C(O)c1cc(Cl)cc(Cl)c1O.O=C(O)c1cc(Cl)cc(Cl)c1O.[Ti]
InChIInChI=1S/4C7H4Cl2O3.Ti/c4*8-3-1-4(7(11)12)6(10)5(9)2-3;/h4*1-2,10H,(H,11,12);
InChIKeyGFSJABQOLLROCY-UHFFFAOYSA-N
MW875.91 g/mol
LogP9.59
Rot. Bonds4

About tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium

tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium (PubChem CID 170560520) has the molecular formula C28H16Cl8O12Ti and a molecular weight of 875.91 g/mol. Its IUPAC name is tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium.

Molecular Properties

Compound Nametetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
PubChem CID170560520
Molecular FormulaC28H16Cl8O12Ti
Molecular Weight875.91 g/mol
Exact Mass871.76
IUPAC Nametetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
SMILESO=C(O)c1cc(Cl)cc(Cl)c1O.O=C(O)c1cc(Cl)cc(Cl)c1O.O=C(O)c1cc(Cl)cc(Cl)c1O.O=C(O)c1cc(Cl)cc(Cl)c1O.[Ti]
InChIInChI=1S/4C7H4Cl2O3.Ti/c4*8-3-1-4(7(11)12)6(10)5(9)2-3;/h4*1-2,10H,(H,11,12);
InChIKeyGFSJABQOLLROCY-UHFFFAOYSA-N
XLogP9.59
TPSA230.12 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500875.91
LogP ≤ 59.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

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2,3,5-trichloro-4-hydroxybenzoic acid
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CID 45044872
2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
CID 14174396
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
3-chloro-5-cyclohexyl-2-hydroxybenzoic acid
CID 20521551
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Frequently Asked Questions

What is the IUPAC name of tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium?
The IUPAC name of tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium (CID 170560520) is tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium.
What is the SMILES notation for tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium?
The canonical SMILES for tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium is O=C(O)c1cc(Cl)cc(Cl)c1O.O=C(O)c1cc(Cl)cc(Cl)c1O.O=C(O)c1cc(Cl)cc(Cl)c1O.O=C(O)c1cc(Cl)cc(Cl)c1O.[Ti].
What is the InChIKey of tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium?
The InChIKey is GFSJABQOLLROCY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H4Cl2O3.Ti/c4*8-3-1-4(7(11)12)6(10)5(9)2-3;/h4*1-2,10H,(H,11,12);.
What are the key properties of tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium?
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium has a molecular weight of 875.91 g/mol, XLogP of 9.59, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium is sourced from PubChem (CID 170560520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).