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14182-15-1 | Sulfonium, dimethyl(phenylmethyl)-, bromide (1:1)
CAS No: 14182-15-1 Catalog No: AG001H94 MDL No:
Product Description
Catalog Number:
AG001H94
Chemical Name:
Sulfonium, dimethyl(phenylmethyl)-, bromide (1:1)
CAS Number:
14182-15-1
Molecular Formula:
C9H13BrS
Molecular Weight:
233.1685
IUPAC Name:
benzyl(dimethyl)sulfanium;bromide
InChI:
InChI=1S/C9H13S.BrH/c1-10(2)8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H/q+1;/p-1
InChI Key:
DAPIKCIVBZSZFC-UHFFFAOYSA-M
SMILES:
C[S+](Cc1ccccc1)C.[Br-]
NSC Number:
175816
Properties
Complexity:
82.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.992g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.167g/mol
Monoisotopic Mass:
231.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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