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14182-26-4 | Sulfonium, dimethyl[(4-nitrophenyl)methyl]-, bromide (1:1)
CAS No: 14182-26-4 Catalog No: AG001H92 MDL No:
Product Description
Catalog Number:
AG001H92
Chemical Name:
Sulfonium, dimethyl[(4-nitrophenyl)methyl]-, bromide (1:1)
CAS Number:
14182-26-4
Molecular Formula:
C9H12BrNO2S
Molecular Weight:
278.1661
IUPAC Name:
dimethyl-[(4-nitrophenyl)methyl]sulfanium;bromide
InChI:
InChI=1S/C9H12NO2S.BrH/c1-13(2)7-8-3-5-9(6-4-8)10(11)12;/h3-6H,7H2,1-2H3;1H/q+1;/p-1
InChI Key:
DZSCPDDLLOTRAG-UHFFFAOYSA-M
SMILES:
C[S+](Cc1ccc(cc1)[N+](=O)[O-])C.[Br-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.977g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.164g/mol
Monoisotopic Mass:
276.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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