200,000+ products from a single source!
sales@angenechem.com
887587-67-9 | 1-Pyrrolidinecarboxylicacid, 3-[(4-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS No: 887587-67-9 Catalog No: AG004BWO MDL No:
Product Description
Catalog Number:
AG004BWO
Chemical Name:
1-Pyrrolidinecarboxylicacid, 3-[(4-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS Number:
887587-67-9
Molecular Formula:
C15H20BrNO4S
Molecular Weight:
390.2926
IUPAC Name:
tert-butyl 3-(4-bromophenyl)sulfonylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H20BrNO4S/c1-15(2,3)21-14(18)17-9-8-13(10-17)22(19,20)12-6-4-11(16)5-7-12/h4-7,13H,8-10H2,1-3H3
InChI Key:
IDEUDDPTYWBZEG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)C1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.03g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.292g/mol
Monoisotopic Mass:
389.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.