terephthalic acid;trichlorobismuthane

C8H6BiCl3O4 — CID 175456878

IUPACterephthalic acid;trichlorobismuthane
SMILESCl[Bi](Cl)Cl.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.Bi.3ClH/c9-7(10)5-1-2-6(4-3-5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);;3*1H/q;+3;;;/p-3
InChIKeyFKVRCURDLUUVOE-UHFFFAOYSA-K
MW481.47 g/mol
LogP2.77
Rot. Bonds2

About terephthalic acid;trichlorobismuthane

terephthalic acid;trichlorobismuthane (PubChem CID 175456878) has the molecular formula C8H6BiCl3O4 and a molecular weight of 481.47 g/mol. Its IUPAC name is terephthalic acid;trichlorobismuthane.

Molecular Properties

Compound Nameterephthalic acid;trichlorobismuthane
PubChem CID175456878
Molecular FormulaC8H6BiCl3O4
Molecular Weight481.47 g/mol
Exact Mass479.91
IUPAC Nameterephthalic acid;trichlorobismuthane
SMILESCl[Bi](Cl)Cl.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.Bi.3ClH/c9-7(10)5-1-2-6(4-3-5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);;3*1H/q;+3;;;/p-3
InChIKeyFKVRCURDLUUVOE-UHFFFAOYSA-K
XLogP2.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

terephthalic acid
CID 160582437
chromium;terephthalic acid
CID 87187082
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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
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CID 66995527
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Frequently Asked Questions

What is the IUPAC name of terephthalic acid;trichlorobismuthane?
The IUPAC name of terephthalic acid;trichlorobismuthane (CID 175456878) is terephthalic acid;trichlorobismuthane.
What is the SMILES notation for terephthalic acid;trichlorobismuthane?
The canonical SMILES for terephthalic acid;trichlorobismuthane is Cl[Bi](Cl)Cl.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of terephthalic acid;trichlorobismuthane?
The InChIKey is FKVRCURDLUUVOE-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H6O4.Bi.3ClH/c9-7(10)5-1-2-6(4-3-5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);;3*1H/q;+3;;;/p-3.
What are the key properties of terephthalic acid;trichlorobismuthane?
terephthalic acid;trichlorobismuthane has a molecular weight of 481.47 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for terephthalic acid;trichlorobismuthane is sourced from PubChem (CID 175456878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).