Name: Name:2-(pyrrolidin-1-yl)-4-(trifluoromethyl)benzoic acid
Brand: Angene
SKU: AG01BA1C
Rating: 90 (10 reviews)

2-(pyrrolidin-1-yl)-4-(trifluoromethyl)benzoic acid

CAS No.:

865470-92-4

Catalog Number:

AG01BA1C

Molecular Formula:

C12H12F3NO2

Molecular Weight:

259.2244

Catalog Number:

AG01BA1C

Chemical Name:

2-(pyrrolidin-1-yl)-4-(trifluoromethyl)benzoic acid

CAS Number:

865470-92-4

Molecular Formula:

C12H12F3NO2

Molecular Weight:

259.2244

MDL Number:

MFCD25576481

IUPAC Name:

2-pyrrolidin-1-yl-4-(trifluoromethyl)benzoic acid

InChI:

InChI=1S/C12H12F3NO2/c13-12(14,15)8-3-4-9(11(17)18)10(7-8)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2,(H,17,18)

InChI Key:

HUMQODLPBXORIA-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1N1CCCC1)C(F)(F)F

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.228g/mol

Monoisotopic Mass:

259.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9