Name: Name:(S)-tert-butyl 2-(3-bromophenyl)pyrrolidine-1-carboxylate
Brand: Angene
SKU: AG01DDQ7
Rating: 90 (10 reviews)

(S)-tert-butyl 2-(3-bromophenyl)pyrrolidine-1-carboxylate

CAS No.:

2061996-90-3

Catalog Number:

AG01DDQ7

Molecular Formula:

C15H20BrNO2

Molecular Weight:

326.2288

Catalog Number:

AG01DDQ7

Chemical Name:

(S)-tert-butyl 2-(3-bromophenyl)pyrrolidine-1-carboxylate

CAS Number:

2061996-90-3

Molecular Formula:

C15H20BrNO2

Molecular Weight:

326.2288

MDL Number:

MFCD30609559

IUPAC Name:

tert-butyl (2S)-2-(3-bromophenyl)pyrrolidine-1-carboxylate

InChI:

InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-9-5-8-13(17)11-6-4-7-12(16)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1

InChI Key:

JNCUUJFKWXBYTB-ZDUSSCGKSA-N

SMILES:

Brc1cccc(c1)[C@@H]1CCCN1C(=O)OC(C)(C)C

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

325.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

326.234g/mol

Monoisotopic Mass:

325.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8