phthalic acid;hydrobromide

C8H7BrO4 — CID 71236392

IUPACphthalic acid;hydrobromide
SMILESBr.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.BrH/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);1H
InChIKeyDYWGEVDXJIYDCC-UHFFFAOYSA-N
MW247.04 g/mol
LogP1.66
Rot. Bonds2

About phthalic acid;hydrobromide

phthalic acid;hydrobromide (PubChem CID 71236392) has the molecular formula C8H7BrO4 and a molecular weight of 247.04 g/mol. Its IUPAC name is phthalic acid;hydrobromide.

Molecular Properties

Compound Namephthalic acid;hydrobromide
PubChem CID71236392
Molecular FormulaC8H7BrO4
Molecular Weight247.04 g/mol
Exact Mass245.95
IUPAC Namephthalic acid;hydrobromide
SMILESBr.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.BrH/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);1H
InChIKeyDYWGEVDXJIYDCC-UHFFFAOYSA-N
XLogP1.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phthalic acid;hydrobromide?
The IUPAC name of phthalic acid;hydrobromide (CID 71236392) is phthalic acid;hydrobromide.
What is the SMILES notation for phthalic acid;hydrobromide?
The canonical SMILES for phthalic acid;hydrobromide is Br.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of phthalic acid;hydrobromide?
The InChIKey is DYWGEVDXJIYDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.BrH/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);1H.
What are the key properties of phthalic acid;hydrobromide?
phthalic acid;hydrobromide has a molecular weight of 247.04 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phthalic acid;hydrobromide is sourced from PubChem (CID 71236392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).