Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

CLW

Summary
Name:CHLORZOXAZONE
Synonyms:5-CHLORO-2-BENZOXAZOLONE
Formula:C7 H4 Cl N O2
Formal charge:0
Formula weight:169.565 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-chloro-1,3-benzoxazol-2(3H)-one
OpenEye OEToolkits1.5.05-chloro-3H-1,3-benzoxazol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc2cc1c(OC(=O)N1)cc2
SMILES_CANONICALCACTVS3.341Clc1ccc2OC(=O)Nc2c1
SMILESCACTVS3.341Clc1ccc2OC(=O)Nc2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2c(cc1Cl)NC(=O)O2
SMILESOpenEye OEToolkits1.5.0c1cc2c(cc1Cl)NC(=O)O2
InChIInChI1.03InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChIKeyInChI1.03TZFWDZFKRBELIQ-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon