Name: Name:1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Brand: Angene
SKU: AG019UWW
Rating: 90 (10 reviews)

1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS No.:

923210-15-5

Catalog Number:

AG019UWW

Molecular Formula:

C13H12FNO2

Molecular Weight:

233.2383

Catalog Number:

AG019UWW

Chemical Name:

1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS Number:

923210-15-5

Molecular Formula:

C13H12FNO2

Molecular Weight:

233.2383

MDL Number:

MFCD08444752

IUPAC Name:

1-(3-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylic acid

InChI:

InChI=1S/C13H12FNO2/c1-8-6-12(13(16)17)9(2)15(8)11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,16,17)

InChI Key:

GCWSSIBLQDMCJL-UHFFFAOYSA-N

SMILES:

Fc1cccc(c1)n1c(C)cc(c1C)C(=O)O

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.242g/mol

Monoisotopic Mass:

233.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7