2-(2-bromo-3-formylphenyl)acetic acid

C9H7BrO3 — CID 175440752

IUPAC2-(2-bromo-3-formylphenyl)acetic acid
SMILESO=Cc1cccc(CC(=O)O)c1Br
InChIInChI=1S/C9H7BrO3/c10-9-6(4-8(12)13)2-1-3-7(9)5-11/h1-3,5H,4H2,(H,12,13)
InChIKeyVJAXXIVTQHLMEJ-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.89
Rot. Bonds3

About 2-(2-bromo-3-formylphenyl)acetic acid

2-(2-bromo-3-formylphenyl)acetic acid (PubChem CID 175440752) has the molecular formula C9H7BrO3 and a molecular weight of 243.06 g/mol. Its IUPAC name is 2-(2-bromo-3-formylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-3-formylphenyl)acetic acid
PubChem CID175440752
Molecular FormulaC9H7BrO3
Molecular Weight243.06 g/mol
Exact Mass241.96
IUPAC Name2-(2-bromo-3-formylphenyl)acetic acid
SMILESO=Cc1cccc(CC(=O)O)c1Br
InChIInChI=1S/C9H7BrO3/c10-9-6(4-8(12)13)2-1-3-7(9)5-11/h1-3,5H,4H2,(H,12,13)
InChIKeyVJAXXIVTQHLMEJ-UHFFFAOYSA-N
XLogP1.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-3-formylphenyl)prop-2-enoic acid
CID 169461159
2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane
CID 157363858
2-[2-(1-bromo-2-oxopropyl)-6-formylphenyl]acetic acid
CID 170837352
2-benzamidoacetic acid;2-(2-formylphenyl)acetic acid
CID 86664383
2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid
CID 172805291
2-(2-bromo-3-cyano-6-formylphenyl)acetic acid
CID 119021513
3-benzyl-2-hydroxybenzaldehyde
CID 22263534
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
5-bromonaphthalene-1,6-dicarbaldehyde
CID 22151791
2-(3-bromo-2-sulfanylphenyl)acetic acid
CID 91874099
methyl 2-(2-bromo-3-formylphenoxy)acetate
CID 59515358
CID 172781001
CID 172781001

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-formylphenyl)acetic acid?
The IUPAC name of 2-(2-bromo-3-formylphenyl)acetic acid (CID 175440752) is 2-(2-bromo-3-formylphenyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-3-formylphenyl)acetic acid?
The canonical SMILES for 2-(2-bromo-3-formylphenyl)acetic acid is O=Cc1cccc(CC(=O)O)c1Br.
What is the InChIKey of 2-(2-bromo-3-formylphenyl)acetic acid?
The InChIKey is VJAXXIVTQHLMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO3/c10-9-6(4-8(12)13)2-1-3-7(9)5-11/h1-3,5H,4H2,(H,12,13).
What are the key properties of 2-(2-bromo-3-formylphenyl)acetic acid?
2-(2-bromo-3-formylphenyl)acetic acid has a molecular weight of 243.06 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-formylphenyl)acetic acid is sourced from PubChem (CID 175440752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).