Benzoic acid, m-(2-(p-bromophenyl)-5-methylpyrrol-1-yl)-

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Basic information

CAS: 26165-59-3
Standard SMILES: Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc(C(=O)O)c1
InChIKey: XMDHKGQVRBXHFE-UHFFFAOYSA-N
Molecular formula: C18H14BrNO2
Average molar mass: 356.2 g/mol
Monoisotopic mass: 355.02079

Names & identifiers

Preferred name: Benzoic acid, m-(2-(p-bromophenyl)-5-methylpyrrol-1-yl)-
IUPAC: 3-[2-(4-bromophenyl)-5-methylpyrrol-1-yl]benzoic acid

Names & synonyms

26165-59-3Benzoic acid, m-(2-(p-bromophenyl)-5-methylpyrrol-1-yl)-m-(2-(p-Bromophenyl)-5-methylpyrrol-1-yl)benzoic acidDTXSID70180787RefChem:327715DTXCID101032783-[2-(4-bromophenyl)-5-methylpyrrol-1-yl]benzoic acidBenzoic acid, 3-[2-(4-bromophenyl)-5-methyl-1H-pyrrol-1-yl]-3-[2-(4-bromophenyl)-5-methyl-1h-pyrrol-1-yl]benzoic acidorb1986414AKOS040750764T30392

Database identifiers

CAS: 26165-59-3
PubChem CID: 213322
DTXSID: DTXSID70180787

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 42.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 395

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Compound notes

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