Name: Name:2-Chloro-1H-indole-3-carboxylic acid
Brand: AABLOCKS
SKU: AA00D8TG
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00D8TG

Chemical Name: 2-Chloro-1H-indole-3-carboxylic acid

CAS Number: 54778-20-0

Molecular Formula: C9H6ClNO2

Molecular Weight: 195.6024

MDL Number: MFCD01719046

SMILES: OC(=O)c1c(Cl)[nH]c2c1cccc2

NSC Number: 234525

Properties

Complexity: 222

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.5

Downstream Synthesis Route

54778-20-0

83894-17-1

[1]Showalter,H.D.Hollis;Sercel,AnthonyD.;Leja,BoguslawaM.;Wolfangel,CraigD.;Ambroso,LindaA.;Elliott,WilliamL.;Fry,DavidW.;Kraker,AlanJ.;Howard,CurtisT.;Lu,GinaH.;Moore,CharlesW.;Nelson,JamesM.;Roberts,BillJ.;Vincent,PatrickW.;Denny,WilliamA.;Thompson,AndrewM.[JournalofMedicinalChemistry,1997,vol.40,#4,p.413-426]

5059-30-3

54778-20-0

[1]Showalter,H.D.Hollis;Sercel,AnthonyD.;Leja,BoguslawaM.;Wolfangel,CraigD.;Ambroso,LindaA.;Elliott,WilliamL.;Fry,DavidW.;Kraker,AlanJ.;Howard,CurtisT.;Lu,GinaH.;Moore,CharlesW.;Nelson,JamesM.;Roberts,BillJ.;Vincent,PatrickW.;Denny,WilliamA.;Thompson,AndrewM.[JournalofMedicinalChemistry,1997,vol.40,#4,p.413-426]

54778-20-0

156137-07-4

[1]Showalter,H.D.Hollis;Sercel,AnthonyD.;Leja,BoguslawaM.;Wolfangel,CraigD.;Ambroso,LindaA.;Elliott,WilliamL.;Fry,DavidW.;Kraker,AlanJ.;Howard,CurtisT.;Lu,GinaH.;Moore,CharlesW.;Nelson,JamesM.;Roberts,BillJ.;Vincent,PatrickW.;Denny,WilliamA.;Thompson,AndrewM.[JournalofMedicinalChemistry,1997,vol.40,#4,p.413-426]

54778-20-0

156137-09-6

[1]Showalter,H.D.Hollis;Sercel,AnthonyD.;Leja,BoguslawaM.;Wolfangel,CraigD.;Ambroso,LindaA.;Elliott,WilliamL.;Fry,DavidW.;Kraker,AlanJ.;Howard,CurtisT.;Lu,GinaH.;Moore,CharlesW.;Nelson,JamesM.;Roberts,BillJ.;Vincent,PatrickW.;Denny,WilliamA.;Thompson,AndrewM.[JournalofMedicinalChemistry,1997,vol.40,#4,p.413-426]

54778-20-0 | 2-Chloro-1H-indole-3-carboxylic acid