Name: Name:tert-Butyl 5-chloro-6-(trifluoromethyl);-1H-indole-1-carboxylate
Brand: Angene
SKU: AG0080QU
Rating: 90 (10 reviews)

tert-Butyl 5-chloro-6-(trifluoromethyl);-1H-indole-1-carboxylate

CAS No.:

1209101-50-7

Catalog Number:

AG0080QU

Molecular Formula:

C14H13ClF3NO2

Molecular Weight:

319.7067

Catalog Number:

AG0080QU

Chemical Name:

tert-Butyl 5-chloro-6-(trifluoromethyl);-1H-indole-1-carboxylate

CAS Number:

1209101-50-7

Molecular Formula:

C14H13ClF3NO2

Molecular Weight:

319.7067

MDL Number:

MFCD09909714

IUPAC Name:

tert-butyl 5-chloro-6-(trifluoromethyl)indole-1-carboxylate

InChI:

InChI=1S/C14H13ClF3NO2/c1-13(2,3)21-12(20)19-5-4-8-6-10(15)9(7-11(8)19)14(16,17)18/h4-7H,1-3H3

InChI Key:

AJNOEIVXKKDODB-UHFFFAOYSA-N

SMILES:

Clc1cc2ccn(c2cc1C(F)(F)F)C(=O)OC(C)(C)C

Complexity:

408

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

319.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

319.708g/mol

Monoisotopic Mass:

319.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

31.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8