bromoruthenium;terephthalic acid

C8H6BrO4Ru — CID 87470713

IUPACbromoruthenium;terephthalic acid
SMILESBr[Ru].O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.BrH.Ru/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);1H;/q;;+1/p-1
InChIKeyZXXVPPIJVJQKDL-UHFFFAOYSA-M
MW347.11 g/mol
LogP1.93
Rot. Bonds2

About bromoruthenium;terephthalic acid

bromoruthenium;terephthalic acid (PubChem CID 87470713) has the molecular formula C8H6BrO4Ru and a molecular weight of 347.11 g/mol. Its IUPAC name is bromoruthenium;terephthalic acid.

Molecular Properties

Compound Namebromoruthenium;terephthalic acid
PubChem CID87470713
Molecular FormulaC8H6BrO4Ru
Molecular Weight347.11 g/mol
Exact Mass346.85
IUPAC Namebromoruthenium;terephthalic acid
SMILESBr[Ru].O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.BrH.Ru/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);1H;/q;;+1/p-1
InChIKeyZXXVPPIJVJQKDL-UHFFFAOYSA-M
XLogP1.93
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.11
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

terephthalic acid
CID 160582437
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
ethene;terephthalic acid
CID 18755810
oxophosphane;terephthalic acid
CID 175391404
potassium;terephthalic acid;hydroxide
CID 157415014
zinc;oxygen(2-);terephthalic acid
CID 68542267
silver;terephthalic acid;zinc
CID 88512761
cobalt;nickel;terephthalic acid
CID 175016500
4-[(E)-1,2-dibromo-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 132567170
lithium;copper;hydride;terephthalic acid
CID 175298386

Frequently Asked Questions

What is the IUPAC name of bromoruthenium;terephthalic acid?
The IUPAC name of bromoruthenium;terephthalic acid (CID 87470713) is bromoruthenium;terephthalic acid.
What is the SMILES notation for bromoruthenium;terephthalic acid?
The canonical SMILES for bromoruthenium;terephthalic acid is Br[Ru].O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of bromoruthenium;terephthalic acid?
The InChIKey is ZXXVPPIJVJQKDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O4.BrH.Ru/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);1H;/q;;+1/p-1.
What are the key properties of bromoruthenium;terephthalic acid?
bromoruthenium;terephthalic acid has a molecular weight of 347.11 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromoruthenium;terephthalic acid is sourced from PubChem (CID 87470713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).