Name: Name:(S)-1-(4-Fluorobenzoyl)pyrrolidine-2-carboxylic acid
Brand: Angene
SKU: AG00ELF2
Rating: 90 (10 reviews)

(S)-1-(4-Fluorobenzoyl)pyrrolidine-2-carboxylic acid

CAS No.:

62522-93-4

Catalog Number:

AG00ELF2

Molecular Formula:

C12H12FNO3

Molecular Weight:

237.2270

Catalog Number:

AG00ELF2

Chemical Name:

(S)-1-(4-Fluorobenzoyl)pyrrolidine-2-carboxylic acid

CAS Number:

62522-93-4

Molecular Formula:

C12H12FNO3

Molecular Weight:

237.2270

MDL Number:

MFCD09757450

IUPAC Name:

(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxylic acid

InChI:

InChI=1S/C12H12FNO3/c13-9-5-3-8(4-6-9)11(15)14-7-1-2-10(14)12(16)17/h3-6,10H,1-2,7H2,(H,16,17)/t10-/m0/s1

InChI Key:

LTUZWGRJHXDJQU-JTQLQIEISA-N

SMILES:

OC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)F

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.23g/mol

Monoisotopic Mass:

237.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2