Name: Name:3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoic acid
Brand: Angene
SKU: AG01AAFF
Rating: 90 (10 reviews)

3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoic acid

CAS No.:

1244030-93-0

Catalog Number:

AG01AAFF

Molecular Formula:

C12H10F3NO3

Molecular Weight:

273.2079

Catalog Number:

AG01AAFF

Chemical Name:

3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoic acid

CAS Number:

1244030-93-0

Molecular Formula:

C12H10F3NO3

Molecular Weight:

273.2079

MDL Number:

MFCD13293242

IUPAC Name:

3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoic acid

InChI:

InChI=1S/C12H10F3NO3/c13-12(14,15)8-4-7(11(18)19)5-9(6-8)16-3-1-2-10(16)17/h4-6H,1-3H2,(H,18,19)

InChI Key:

PMPCVGQVNAPMHY-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(cc(c1)C(F)(F)F)N1CCCC1=O

Complexity:

383

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

273.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.211g/mol

Monoisotopic Mass:

273.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8