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337520-16-8 | tert-Butyl 4-(2-bromo-4-nitrophenoxy);piperidine-1-carboxylate
CAS No: 337520-16-8 Catalog No: AG003UJS MDL No:MFCD11504894
Product Description
Catalog Number:
AG003UJS
Chemical Name:
tert-Butyl 4-(2-bromo-4-nitrophenoxy);piperidine-1-carboxylate
CAS Number:
337520-16-8
Molecular Formula:
C16H21BrN2O5
Molecular Weight:
401.2523
MDL Number:
MFCD11504894
IUPAC Name:
tert-butyl 4-(2-bromo-4-nitrophenoxy)piperidine-1-carboxylate
InChI:
InChI=1S/C16H21BrN2O5/c1-16(2,3)24-15(20)18-8-6-12(7-9-18)23-14-5-4-11(19(21)22)10-13(14)17/h4-5,10,12H,6-9H2,1-3H3
InChI Key:
XHXMEPDDTAZFPG-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Oc1ccc(cc1Br)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.063g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.257g/mol
Monoisotopic Mass:
400.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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