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A1C3B

Summary
Name:[(3-bromo-5-carbamoyl-1-benzothiophen-2-yl)di(fluoro)methyl]phosphonic acid
Formula:C10 H7 Br F2 N O4 P S
Formal charge:0
Formula weight:386.106 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52[(3-bromo-5-carbamoyl-1-benzothiophen-2-yl)di(fluoro)methyl]phosphonic acid
OpenEye OEToolkits3.1.0.0[(5-aminocarbonyl-3-bromanyl-1-benzothiophen-2-yl)-bis(fluoranyl)methyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)c1cc2c(cc1)sc(c2Br)C(F)(F)P(=O)(O)O
InChIInChI1.06InChI=1S/C10H7BrF2NO4PS/c11-7-5-3-4(9(14)15)1-2-6(5)20-8(7)10(12,13)19(16,17)18/h1-3H,(H2,14,15)(H2,16,17,18)
InChIKeyInChI1.06RAFXEGRBNNBOQP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1ccc2sc(c(Br)c2c1)C(F)(F)[P](O)(O)=O
SMILESCACTVS3.385NC(=O)c1ccc2sc(c(Br)c2c1)C(F)(F)[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(cc1C(=O)N)c(c(s2)C(F)(F)P(=O)(O)O)Br
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(cc1C(=O)N)c(c(s2)C(F)(F)P(=O)(O)O)Br

254917

PDB entries from 2026-06-10

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