Name: Name:1-tert-butyl-2-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG01A5GS
Rating: 90 (10 reviews)

1-tert-butyl-2-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:

1408761-55-6

Catalog Number:

AG01A5GS

Molecular Formula:

C15H17ClFNO3

Molecular Weight:

313.7518

Catalog Number:

AG01A5GS

Chemical Name:

1-tert-butyl-2-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS Number:

1408761-55-6

Molecular Formula:

C15H17ClFNO3

Molecular Weight:

313.7518

MDL Number:

MFCD25970265

IUPAC Name:

1-tert-butyl-2-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C15H17ClFNO3/c1-15(2,3)18-12(19)7-9(14(20)21)13(18)8-4-5-10(16)11(17)6-8/h4-6,9,13H,7H2,1-3H3,(H,20,21)

InChI Key:

OCIIVILFDNJYOS-UHFFFAOYSA-N

SMILES:

OC(=O)C1CC(=O)N(C1c1ccc(c(c1)F)Cl)C(C)(C)C

Complexity:

437

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

313.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

313.753g/mol

Monoisotopic Mass:

313.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2