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887579-92-2 | 1-Azetidinecarboxylicacid, 3-[[2-(4-bromophenyl)ethyl]amino]-, 1,1-dimethylethyl ester
CAS No: 887579-92-2 Catalog No: AG004CG3 MDL No:
Product Description
Catalog Number:
AG004CG3
Chemical Name:
1-Azetidinecarboxylicacid, 3-[[2-(4-bromophenyl)ethyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
887579-92-2
Molecular Formula:
C16H23BrN2O2
Molecular Weight:
355.2700
IUPAC Name:
tert-butyl 3-[2-(4-bromophenyl)ethylamino]azetidine-1-carboxylate
InChI:
InChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-10-14(11-19)18-9-8-12-4-6-13(17)7-5-12/h4-7,14,18H,8-11H2,1-3H3
InChI Key:
VBOSSDDHOCSJCZ-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)NCCc1ccc(cc1)Br)OC(C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
6
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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