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895525-73-2 | tert-Butyl 6-bromo-4H-spiro[benzo[d][1,3]dioxine-2,4'-piperidine]-1'-carboxylate
CAS No: 895525-73-2 Catalog No: AG003ZNI MDL No:MFCD13195393
Product Description
Catalog Number:
AG003ZNI
Chemical Name:
tert-Butyl 6-bromo-4H-spiro[benzo[d][1,3]dioxine-2,4'-piperidine]-1'-carboxylate
CAS Number:
895525-73-2
Molecular Formula:
C17H22BrNO4
Molecular Weight:
384.2649
MDL Number:
MFCD13195393
IUPAC Name:
tert-butyl 6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C17H22BrNO4/c1-16(2,3)23-15(20)19-8-6-17(7-9-19)21-11-12-10-13(18)4-5-14(12)22-17/h4-5,10H,6-9,11H2,1-3H3
InChI Key:
YKOKNSPJTCUZOQ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)COC1(O2)CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.073g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.27g/mol
Monoisotopic Mass:
383.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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