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Home > Bromides > 1251015-16-3
1251015-16-3 | Spiro[benzofuran-3(2H),4'-piperidine]-1'-carboxylic acid, 5-broMo-, 1,1-diMethylethyl ester
CAS No: 1251015-16-3 Catalog No: AG000N6G MDL No:MFCD14581179
Product Description
Catalog Number:
AG000N6G
Chemical Name:
Spiro[benzofuran-3(2H),4'-piperidine]-1'-carboxylic acid, 5-broMo-, 1,1-diMethylethyl ester
CAS Number:
1251015-16-3
Molecular Formula:
C17H22BrNO3
Molecular Weight:
368.2655
MDL Number:
MFCD14581179
IUPAC Name:
tert-butyl 5-bromospiro[2H-1-benzofuran-3,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C17H22BrNO3/c1-16(2,3)22-15(20)19-8-6-17(7-9-19)11-21-14-5-4-12(18)10-13(14)17/h4-5,10H,6-9,11H2,1-3H3
InChI Key:
BIPDNNVZTQRXHY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)CO2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.271g/mol
Monoisotopic Mass:
367.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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