Name: Name:1-[1-methyl-3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]ethan-1-one
Brand: Angene
SKU: AG01B8TB
Rating: 90 (10 reviews)

1-[1-methyl-3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]ethan-1-one

CAS No.:

1803611-90-6

Catalog Number:

AG01B8TB

Molecular Formula:

C9H7F6NO

Molecular Weight:

259.1484

Catalog Number:

AG01B8TB

Chemical Name:

1-[1-methyl-3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]ethan-1-one

CAS Number:

1803611-90-6

Molecular Formula:

C9H7F6NO

Molecular Weight:

259.1484

MDL Number:

MFCD28348120

IUPAC Name:

1-[1-methyl-3,5-bis(trifluoromethyl)pyrrol-2-yl]ethanone

InChI:

InChI=1S/C9H7F6NO/c1-4(17)7-5(8(10,11)12)3-6(16(7)2)9(13,14)15/h3H,1-2H3

InChI Key:

WJYNHFYZLZVUDI-UHFFFAOYSA-N

SMILES:

CC(=O)c1n(C)c(cc1C(F)(F)F)C(F)(F)F

Complexity:

310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.151g/mol

Monoisotopic Mass:

259.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5