Chemical Component Summary

Name(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid
Identifiers(1~{R},2~{S})-2-[[3,4-bis(chloranyl)phenoxy]methyl]cyclohexane-1-carboxylic acid
FormulaC14 H16 Cl2 O3
Molecular Weight303.181
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1OC[C@H]2CCCC[C@H]2C(=O)O)Cl)Cl
InChIInChI=1S/C14H16Cl2O3/c15-12-6-5-10(7-13(12)16)19-8-9-3-1-2-4-11(9)14(17)18/h5-7,9,11H,1-4,8H2,(H,17,18)/t9-,11-/m1/s1
InChIKeyQHYRPWZFRRIKQC-MWLCHTKSSA-N

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count2
Bond Count36
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 168300859