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A05

Summary
Name:5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID
Formula:C11 H6 Cl N O5
Formal charge:0
Formula weight:267.622 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-(2-chloro-4-nitrophenyl)furan-2-carboxylic acid
OpenEye OEToolkits1.5.05-(2-chloro-4-nitro-phenyl)furan-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c2oc(c1c(Cl)cc([N+]([O-])=O)cc1)cc2
SMILES_CANONICALCACTVS3.341OC(=O)c1oc(cc1)c2ccc(cc2Cl)[N+]([O-])=O
SMILESCACTVS3.341OC(=O)c1oc(cc1)c2ccc(cc2Cl)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)O
InChIInChI1.03InChI=1S/C11H6ClNO5/c12-8-5-6(13(16)17)1-2-7(8)9-3-4-10(18-9)11(14)15/h1-5H,(H,14,15)
InChIKeyInChI1.03HDIHNBCCQWMVBW-UHFFFAOYSA-N

246905

PDB entries from 2025-12-31

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