2-Chloro-5-nitrophenyl 1-methylpyrrol-2-yl ketone

HCID 21204777
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Basic information

Standard SMILES
Cn1cccc1C(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIKey
JXJAIPNBYBQTDH-UHFFFAOYSA-N
Molecular formula
C12H9ClN2O3
Average molar mass
264.66 g/mol

Names & identifiers

Preferred name
2-Chloro-5-nitrophenyl 1-methylpyrrol-2-yl ketone
IUPAC
(2-chloro-5-nitrophenyl)-(1-methylpyrrol-2-yl)methanone

Names & synonyms

SCHEMBL6771037JXJAIPNBYBQTDH-UHFFFAOYSA-N2-Chloro-5-nitrophenyl 1-methylpyrrol-2-yl ketone

Database identifiers

PubChem CID
21204777

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
67.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18

Related reactions

2 records
New reaction record

Linked notes

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