1-Methanesulfonyl-4-nitro-1H-pyrrole-2-carboxylic acid ethyl ester

HCID 59639699
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cc([N+](=O)[O-])cn1S(C)(=O)=O
InChIKey
JPDBFSLORAINBE-UHFFFAOYSA-N
Molecular formula
C8H10N2O6S
Average molar mass
262.24 g/mol
Monoisotopic mass
262.02595722

Names & identifiers

Preferred name
1-Methanesulfonyl-4-nitro-1H-pyrrole-2-carboxylic acid ethyl ester
IUPAC
ethyl 1-methylsulfonyl-4-nitropyrrole-2-carboxylate

Names & synonyms

1-Methanesulfonyl-4-nitro-1H-pyrrole-2-carboxylic acid ethyl esterSCHEMBL5034142JPDBFSLORAINBE-UHFFFAOYSA-N845867-99-4DB-312230

Database identifiers

PubChem CID
59639699

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
120 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
17

Related reactions

4 records
New reaction record

Compound notes

Loading…