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887587-62-4 | 1-Pyrrolidinecarboxylicacid, 3-[(3-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS No: 887587-62-4 Catalog No: AG004DQA MDL No:
Product Description
Catalog Number:
AG004DQA
Chemical Name:
1-Pyrrolidinecarboxylicacid, 3-[(3-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS Number:
887587-62-4
Molecular Formula:
C15H20BrNO4S
Molecular Weight:
390.2926
IUPAC Name:
tert-butyl 3-(3-bromophenyl)sulfonylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H20BrNO4S/c1-15(2,3)21-14(18)17-8-7-13(10-17)22(19,20)12-6-4-5-11(16)9-12/h4-6,9,13H,7-8,10H2,1-3H3
InChI Key:
DIOHDRSYOWYSIZ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)S(=O)(=O)C1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
509
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
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