benzene-1,3-dicarboxylic acid;dichlorotitanium

C8H6Cl2O4Ti — CID 22957310

IUPACbenzene-1,3-dicarboxylic acid;dichlorotitanium
SMILESCl[Ti]Cl.O=C(O)c1cccc(C(=O)O)c1
InChIInChI=1S/C8H6O4.2ClH.Ti/c9-7(10)5-2-1-3-6(4-5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);2*1H;/q;;;+2/p-2
InChIKeyFJHRILIKEQOXFC-UHFFFAOYSA-L
MW284.91 g/mol
LogP2.46
Rot. Bonds2

About benzene-1,3-dicarboxylic acid;dichlorotitanium

benzene-1,3-dicarboxylic acid;dichlorotitanium (PubChem CID 22957310) has the molecular formula C8H6Cl2O4Ti and a molecular weight of 284.91 g/mol. Its IUPAC name is benzene-1,3-dicarboxylic acid;dichlorotitanium.

Molecular Properties

Compound Namebenzene-1,3-dicarboxylic acid;dichlorotitanium
PubChem CID22957310
Molecular FormulaC8H6Cl2O4Ti
Molecular Weight284.91 g/mol
Exact Mass283.91
IUPAC Namebenzene-1,3-dicarboxylic acid;dichlorotitanium
SMILESCl[Ti]Cl.O=C(O)c1cccc(C(=O)O)c1
InChIInChI=1S/C8H6O4.2ClH.Ti/c9-7(10)5-2-1-3-6(4-5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);2*1H;/q;;;+2/p-2
InChIKeyFJHRILIKEQOXFC-UHFFFAOYSA-L
XLogP2.46
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.91
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 139146863
CID 139146863
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
benzene-1,3-dicarboxylic acid;bis(oxovanadium)
CID 175058982
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
3-(3-carboxybenzoyl)benzoic acid
CID 754396
3-(1-fluoroethenyl)benzoic acid
CID 67591917
3-[3-(3-carboxyphenyl)but-2-en-2-yl]benzoic acid
CID 123649222
CID 159629695
CID 159629695

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-dicarboxylic acid;dichlorotitanium?
The IUPAC name of benzene-1,3-dicarboxylic acid;dichlorotitanium (CID 22957310) is benzene-1,3-dicarboxylic acid;dichlorotitanium.
What is the SMILES notation for benzene-1,3-dicarboxylic acid;dichlorotitanium?
The canonical SMILES for benzene-1,3-dicarboxylic acid;dichlorotitanium is Cl[Ti]Cl.O=C(O)c1cccc(C(=O)O)c1.
What is the InChIKey of benzene-1,3-dicarboxylic acid;dichlorotitanium?
The InChIKey is FJHRILIKEQOXFC-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O4.2ClH.Ti/c9-7(10)5-2-1-3-6(4-5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);2*1H;/q;;;+2/p-2.
What are the key properties of benzene-1,3-dicarboxylic acid;dichlorotitanium?
benzene-1,3-dicarboxylic acid;dichlorotitanium has a molecular weight of 284.91 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-dicarboxylic acid;dichlorotitanium is sourced from PubChem (CID 22957310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).