Name: Name:1H-Pyrrole-2-carboxylic acid, 1-methyl-5-[4-(trifluoromethyl)phenyl]-
Brand: Angene
SKU: AG000FWR
Rating: 90 (10 reviews)

1H-Pyrrole-2-carboxylic acid, 1-methyl-5-[4-(trifluoromethyl)phenyl]-

CAS No.:

1153905-13-5

Catalog Number:

AG000FWR

Molecular Formula:

C13H10F3NO2

Molecular Weight:

269.2192

Catalog Number:

AG000FWR

Chemical Name:

1H-Pyrrole-2-carboxylic acid, 1-methyl-5-[4-(trifluoromethyl)phenyl]-

CAS Number:

1153905-13-5

Molecular Formula:

C13H10F3NO2

Molecular Weight:

269.2192

MDL Number:

MFCD12697165

IUPAC Name:

1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid

InChI:

InChI=1S/C13H10F3NO2/c1-17-10(6-7-11(17)12(18)19)8-2-4-9(5-3-8)13(14,15)16/h2-7H,1H3,(H,18,19)

InChI Key:

YOHLWFVGQKUFDL-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(n1C)c1ccc(cc1)C(F)(F)F

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.223g/mol

Monoisotopic Mass:

269.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1