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Home Halogens Methyl 5-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoate

Methyl 5-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoate

CAS No.:
1373232-33-7
Catalog Number:
AG00134T
Molecular Formula:
C11H12BrNO4S
Molecular Weight:
334.1863
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00134T
Chemical Name:
Methyl 5-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoate
CAS Number:
1373232-33-7
Molecular Formula:
C11H12BrNO4S
Molecular Weight:
334.1863
MDL Number:
MFCD22192470
IUPAC Name:
methyl 5-bromo-2-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
InChI:
InChI=1S/C11H12BrNO4S/c1-17-11(14)9-7-8(12)3-4-10(9)13-5-2-6-18(13,15)16/h3-4,7H,2,5-6H2,1H3
InChI Key:
AQCHBRZNYNSWAZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)ccc1N1CCCS1(=O)=O
Properties
Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.967g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.184g/mol
Monoisotopic Mass:
332.967g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties