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127349-68-2 | Magnesium, bromo[[4-(1,1-dimethylethyl)phenyl]methyl]-
CAS No: 127349-68-2 Catalog No: AG000WXX MDL No:
Product Description
Catalog Number:
AG000WXX
Chemical Name:
Magnesium, bromo[[4-(1,1-dimethylethyl)phenyl]methyl]-
CAS Number:
127349-68-2
Molecular Formula:
C11H15BrMg
Molecular Weight:
251.4458
IUPAC Name:
magnesium;1-tert-butyl-4-methanidylbenzene;bromide
InChI:
InChI=1S/C11H15.BrH.Mg/c1-9-5-7-10(8-6-9)11(2,3)4;;/h5-8H,1H2,2-4H3;1H;/q-1;;+2/p-1
InChI Key:
CYLKQLQPTNOIRF-UHFFFAOYSA-M
SMILES:
Br[Mg]Cc1ccc(cc1)C(C)(C)C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.45g/mol
Monoisotopic Mass:
250.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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