Name: Name:4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(trifluoromethyl)benzonitrile
Brand: Angene
SKU: AG01DI8C
Rating: 90 (10 reviews)

4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(trifluoromethyl)benzonitrile

CAS No.:

406224-65-5

Catalog Number:

AG01DI8C

Molecular Formula:

C12H5F3N2O2

Molecular Weight:

266.1755

Catalog Number:

AG01DI8C

Chemical Name:

4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(trifluoromethyl)benzonitrile

CAS Number:

406224-65-5

Molecular Formula:

C12H5F3N2O2

Molecular Weight:

266.1755

MDL Number:

MFCD20813974

IUPAC Name:

4-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)benzonitrile

InChI:

InChI=1S/C12H5F3N2O2/c13-12(14,15)9-5-8(2-1-7(9)6-16)17-10(18)3-4-11(17)19/h1-5H

InChI Key:

NWXMYYWFGNFJRX-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1C(F)(F)F)N1C(=O)C=CC1=O

Complexity:

471

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

266.179g/mol

Monoisotopic Mass:

266.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6