Home Halogens methyl 2-(4-bromobenzenesulfinyl)acetate

methyl 2-(4-bromobenzenesulfinyl)acetate

CAS No.:
63216-00-2
Catalog Number:
AG019T1O
Molecular Formula:
C9H9BrO3S
Molecular Weight:
277.1350
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Product Description
Catalog Number:
AG019T1O
Chemical Name:
methyl 2-(4-bromobenzenesulfinyl)acetate
CAS Number:
63216-00-2
Molecular Formula:
C9H9BrO3S
Molecular Weight:
277.1350
MDL Number:
MFCD14613185
IUPAC Name:
methyl 2-(4-bromophenyl)sulfinylacetate
InChI:
InChI=1S/C9H9BrO3S/c1-13-9(11)6-14(12)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
InChI Key:
OZUSHMCEQAEEJK-UHFFFAOYSA-N
SMILES:
COC(=O)CS(=O)c1ccc(cc1)Br
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.946g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.132g/mol
Monoisotopic Mass:
275.946g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties