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114827-81-5 | Sulfonium, (carboxymethyl)dimethyl-, bromide (1:1)
CAS No: 114827-81-5 Catalog No: AG000FAY MDL No:
Product Description
Catalog Number:
AG000FAY
Chemical Name:
Sulfonium, (carboxymethyl)dimethyl-, bromide (1:1)
CAS Number:
114827-81-5
Molecular Formula:
C4H9BrO2S
Molecular Weight:
201.0821
IUPAC Name:
carboxymethyl(dimethyl)sulfanium;bromide
InChI:
InChI=1S/C4H8O2S.BrH/c1-7(2)3-4(5)6;/h3H2,1-2H3;1H
InChI Key:
VZIWLQJHNSCMDJ-UHFFFAOYSA-N
SMILES:
OC(=O)C[S+](C)C.[Br-]
Properties
Complexity:
70.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.951g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.078g/mol
Monoisotopic Mass:
199.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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