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16523-02-7 | Ethane, 1-bromo-2-(methylsulfonyl)-
CAS No: 16523-02-7 Catalog No: AG001W03 MDL No:MFCD08274926
Product Description
Catalog Number:
AG001W03
Chemical Name:
Ethane, 1-bromo-2-(methylsulfonyl)-
CAS Number:
16523-02-7
Molecular Formula:
C3H7BrO2S
Molecular Weight:
187.0555
MDL Number:
MFCD08274926
IUPAC Name:
1-bromo-2-methylsulfonylethane
InChI:
InChI=1S/C3H7BrO2S/c1-7(5,6)3-2-4/h2-3H2,1H3
InChI Key:
NIEGKADUBXVLHF-UHFFFAOYSA-N
SMILES:
BrCCS(=O)(=O)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.935g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.051g/mol
Monoisotopic Mass:
185.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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