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1187170-36-0 | 2-[8-(1,4-Dioxa-8-azaspiro[4.5]decyl)methyl]phenylmagnesium bromide 0.25 M in Tetrahydrofuran
CAS No: 1187170-36-0 Catalog No: AG01F2XC MDL No:
Product Description
Catalog Number:
AG01F2XC
Chemical Name:
2-[8-(1,4-Dioxa-8-azaspiro[4.5]decyl)methyl]phenylmagnesium bromide 0.25 M in Tetrahydrofuran
CAS Number:
1187170-36-0
Molecular Formula:
C14H18BrMgNO2
Molecular Weight:
336.5072
IUPAC Name:
magnesium;8-(phenylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane;bromide
InChI:
InChI=1S/C14H18NO2.BrH.Mg/c1-2-4-13(5-3-1)12-15-8-6-14(7-9-15)16-10-11-17-14;;/h1-4H,6-12H2;1H;/q-1;;+2/p-1
InChI Key:
CHVBYFSVGITLFU-UHFFFAOYSA-M
SMILES:
Br[Mg]c1ccccc1CN1CCC2(CC1)OCCO2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.037g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.512g/mol
Monoisotopic Mass:
335.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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