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Home > Bromides > 1159825-17-8
1159825-17-8 | 1-N-Boc-3-(4-Bromo-2-chlorophenoxy)pyrrolidine
CAS No: 1159825-17-8 Catalog No: AG01EQTD MDL No:
Product Description
Catalog Number:
AG01EQTD
Chemical Name:
1-N-Boc-3-(4-Bromo-2-chlorophenoxy)pyrrolidine
CAS Number:
1159825-17-8
Molecular Formula:
C15H19BrClNO3
Molecular Weight:
376.6733
IUPAC Name:
tert-butyl 3-(4-bromo-2-chlorophenoxy)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H19BrClNO3/c1-15(2,3)21-14(19)18-7-6-11(9-18)20-13-5-4-10(16)8-12(13)17/h4-5,8,11H,6-7,9H2,1-3H3
InChI Key:
RBAPUZHPSLIZNY-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Cl)OC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.024g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.675g/mol
Monoisotopic Mass:
375.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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