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Home > Bromides > 1286274-89-2
1286274-89-2 | tert-Butyl 1-(4-bromobenzoyl)piperidin-4-ylcarbamate
CAS No: 1286274-89-2 Catalog No: AG01F8GF MDL No:
Product Description
Catalog Number:
AG01F8GF
Chemical Name:
tert-Butyl 1-(4-bromobenzoyl)piperidin-4-ylcarbamate
CAS Number:
1286274-89-2
Molecular Formula:
C17H23BrN2O3
Molecular Weight:
383.2801
IUPAC Name:
tert-butyl N-[1-(4-bromobenzoyl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C17H23BrN2O3/c1-17(2,3)23-16(22)19-14-8-10-20(11-9-14)15(21)12-4-6-13(18)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,19,22)
InChI Key:
YKTIMDLIMARQQW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)N1CCC(CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.089g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.286g/mol
Monoisotopic Mass:
382.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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