5-bromo-2-methoxy(14C)benzoic acid

C8H7BrO3 — CID 10752081

IUPAC5-bromo-2-methoxy(14C)benzoic acid
SMILESCOc1ccc(Br)cc1[14C](=O)O
InChIInChI=1S/C8H7BrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)/i8+2
InChIKeyJFDUXZIRWBYBAQ-PPJXEINESA-N
MW233.04 g/mol
LogP2.16
Rot. Bonds2

About 5-bromo-2-methoxy(14C)benzoic acid

5-bromo-2-methoxy(14C)benzoic acid (PubChem CID 10752081) has the molecular formula C8H7BrO3 and a molecular weight of 233.04 g/mol. Its IUPAC name is 5-bromo-2-methoxy(14C)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-methoxy(14C)benzoic acid
PubChem CID10752081
Molecular FormulaC8H7BrO3
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name5-bromo-2-methoxy(14C)benzoic acid
SMILESCOc1ccc(Br)cc1[14C](=O)O
InChIInChI=1S/C8H7BrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)/i8+2
InChIKeyJFDUXZIRWBYBAQ-PPJXEINESA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(5-bromo-2-methoxyphenyl)-N-methylcarbamoyl bromide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy(14C)benzoic acid?
The IUPAC name of 5-bromo-2-methoxy(14C)benzoic acid (CID 10752081) is 5-bromo-2-methoxy(14C)benzoic acid.
What is the SMILES notation for 5-bromo-2-methoxy(14C)benzoic acid?
The canonical SMILES for 5-bromo-2-methoxy(14C)benzoic acid is COc1ccc(Br)cc1[14C](=O)O.
What is the InChIKey of 5-bromo-2-methoxy(14C)benzoic acid?
The InChIKey is JFDUXZIRWBYBAQ-PPJXEINESA-N. The full InChI is InChI=1S/C8H7BrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)/i8+2.
What are the key properties of 5-bromo-2-methoxy(14C)benzoic acid?
5-bromo-2-methoxy(14C)benzoic acid has a molecular weight of 233.04 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy(14C)benzoic acid is sourced from PubChem (CID 10752081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).