2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester

HCID 4763735
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Basic information

Standard SMILES
COC(=O)c1ccc(-n2cccc2)cc1Cl
InChIKey
DQASRULSFAKRPY-UHFFFAOYSA-N
Molecular formula
C12H10ClNO2
Average molar mass
235.66 g/mol

Names & identifiers

Preferred name
2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester
IUPAC
methyl 2-chloro-4-pyrrol-1-ylbenzoate

Names & synonyms

2-chloro-4-(1-pyrrolyl)benzoic acid methyl esterSCHEMBL3816511DQASRULSFAKRPY-UHFFFAOYSA-NAKOS000285780methyl 2-chloro-4-(1H-pyrrol-1-yl)benzoate

Database identifiers

PubChem CID
4763735

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
31.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16

Related reactions

4 records
New reaction record

Linked notes

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2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester (HCID 4763735)｜Huagongshe