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5E2

Summary
Name:2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid
Formula:C16 H9 Br Cl N O2
Formal charge:0
Formula weight:362.605 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid
OpenEye OEToolkits1.9.22-(3-bromophenyl)-6-chloranyl-quinoline-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(C(O)=O)cc(c1cc(ccc1)Br)nc3ccc(Cl)cc23
InChIInChI1.03InChI=1S/C16H9BrClNO2/c17-10-3-1-2-9(6-10)15-8-13(16(20)21)12-7-11(18)4-5-14(12)19-15/h1-8H,(H,20,21)
InChIKeyInChI1.03UEYRXZBCYPCXSJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(nc2ccc(Cl)cc12)c3cccc(Br)c3
SMILESCACTVS3.385OC(=O)c1cc(nc2ccc(Cl)cc12)c3cccc(Br)c3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O
SMILESOpenEye OEToolkits1.9.2c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O

222415

数据于2024-07-10公开中

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