Name: Name:1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one
Brand: Angene
SKU: AG0082AA
Rating: 90 (10 reviews)

1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one

CAS No.:

111468-90-7

Catalog Number:

AG0082AA

Molecular Formula:

C9H8Cl3NO2

Molecular Weight:

268.5243

Catalog Number:

AG0082AA

Chemical Name:

1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one

CAS Number:

111468-90-7

Molecular Formula:

C9H8Cl3NO2

Molecular Weight:

268.5243

MDL Number:

MFCD00141837

IUPAC Name:

1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]propan-1-one

InChI:

InChI=1S/C9H8Cl3NO2/c1-2-7(14)5-3-6(13-4-5)8(15)9(10,11)12/h3-4,13H,2H2,1H3

InChI Key:

LCPFRWWWCIWDTO-UHFFFAOYSA-N

SMILES:

CCC(=O)c1c[nH]c(c1)C(=O)C(Cl)(Cl)Cl

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.962g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.518g/mol

Monoisotopic Mass:

266.962g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7