Name: Name:1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG01BAZK
Rating: 90 (10 reviews)

1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid

CAS No.:

1466675-71-7

Catalog Number:

AG01BAZK

Molecular Formula:

C12H11FN2O2

Molecular Weight:

234.2263

Catalog Number:

AG01BAZK

Chemical Name:

1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid

CAS Number:

1466675-71-7

Molecular Formula:

C12H11FN2O2

Molecular Weight:

234.2263

MDL Number:

MFCD17155282

IUPAC Name:

1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C12H11FN2O2/c13-10-5-8(6-14)1-2-11(10)15-4-3-9(7-15)12(16)17/h1-2,5,9H,3-4,7H2,(H,16,17)

InChI Key:

OKLSAKLXOGFNEW-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(c(c1)F)N1CCC(C1)C(=O)O

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.23g/mol

Monoisotopic Mass:

234.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5