Home Halogens methyl 4-bromo-2-(methylthio)benzoate

methyl 4-bromo-2-(methylthio)benzoate

CAS No.:
1824127-03-8
Catalog Number:
AG01DI1P
Molecular Formula:
C9H9BrO2S
Molecular Weight:
261.1356
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$252
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Product Description
Catalog Number:
AG01DI1P
Chemical Name:
methyl 4-bromo-2-(methylthio)benzoate
CAS Number:
1824127-03-8
Molecular Formula:
C9H9BrO2S
Molecular Weight:
261.1356
MDL Number:
MFCD22488927
IUPAC Name:
methyl 4-bromo-2-methylsulfanylbenzoate
InChI:
InChI=1S/C9H9BrO2S/c1-12-9(11)7-4-3-6(10)5-8(7)13-2/h3-5H,1-2H3
InChI Key:
YJLVEWVNFFFEAF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1SC)Br
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.951g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.133g/mol
Monoisotopic Mass:
259.951g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties