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

C3U

Summary
Name:1-chloranyl-2-methyl-benzene
Synonyms:1-Chloro-2-methylbenzene
Formula:C7 H7 Cl
Formal charge:0
Formula weight:126.583 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.61-chloranyl-2-methyl-benzene

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKeyInChI1.03IBSQPLPBRSHTTG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccccc1Cl
SMILESCACTVS3.385Cc1ccccc1Cl
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccccc1Cl
SMILESOpenEye OEToolkits2.0.6Cc1ccccc1Cl

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon