Name: Name:tert-butyl N-[3-(trifluoroacetyl)pyridin-4-yl]carbamate
Brand: Angene
SKU: AG01A40H
Rating: 90 (10 reviews)

tert-butyl N-[3-(trifluoroacetyl)pyridin-4-yl]carbamate

CAS No.:

1391738-67-2

Catalog Number:

AG01A40H

Molecular Formula:

C12H13F3N2O3

Molecular Weight:

290.2384

Catalog Number:

AG01A40H

Chemical Name:

tert-butyl N-[3-(trifluoroacetyl)pyridin-4-yl]carbamate

CAS Number:

1391738-67-2

Molecular Formula:

C12H13F3N2O3

Molecular Weight:

290.2384

MDL Number:

MFCD22681642

IUPAC Name:

tert-butyl N-[3-(2,2,2-trifluoroacetyl)pyridin-4-yl]carbamate

InChI:

InChI=1S/C12H13F3N2O3/c1-11(2,3)20-10(19)17-8-4-5-16-6-7(8)9(18)12(13,14)15/h4-6H,1-3H3,(H,16,17,19)

InChI Key:

QLDVWDOCNPIXPQ-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)Nc1ccncc1C(=O)C(F)(F)F

Complexity:

377

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

290.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.242g/mol

Monoisotopic Mass:

290.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8