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1256794-00-9 | Spiro[benzofuran-3(2H),4'-piperidine], 5-broMo-
CAS No: 1256794-00-9 Catalog No: AG000OD3 MDL No:
Product Description
Catalog Number:
AG000OD3
Chemical Name:
Spiro[benzofuran-3(2H),4'-piperidine], 5-broMo-
CAS Number:
1256794-00-9
Molecular Formula:
C12H14BrNO
Molecular Weight:
268.1497
IUPAC Name:
5-bromospiro[2H-1-benzofuran-3,4'-piperidine]
InChI:
InChI=1S/C12H14BrNO/c13-9-1-2-11-10(7-9)12(8-15-11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2
InChI Key:
MJEYZCOPEVHIOB-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C1(CCNCC1)CO2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.154g/mol
Monoisotopic Mass:
267.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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