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Home > Bromides > 1286208-27-2
1286208-27-2 | (S)-tert-Butyl 1-(4-bromobenzyl)pyrrolidin-3-ylcarbamate
CAS No: 1286208-27-2 Catalog No: AG01ERQC MDL No:
Product Description
Catalog Number:
AG01ERQC
Chemical Name:
(S)-tert-Butyl 1-(4-bromobenzyl)pyrrolidin-3-ylcarbamate
CAS Number:
1286208-27-2
Molecular Formula:
C16H23BrN2O2
Molecular Weight:
355.2700
IUPAC Name:
tert-butyl N-[(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)18-14-8-9-19(11-14)10-12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,18,20)/t14-/m0/s1
InChI Key:
UYZZAGNHGKVPQM-AWEZNQCLSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CCN(C1)Cc1ccc(cc1)Br
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
354.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.276g/mol
Monoisotopic Mass:
354.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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