Home Sulfos Methyl2-Fluoro-3-iodo-6-(methylsulfonyl)benzoate

Methyl2-Fluoro-3-iodo-6-(methylsulfonyl)benzoate

CAS No.:
1823565-96-3
Catalog Number:
AG00I1A1
Molecular Formula:
C9H8FIO4S
Molecular Weight:
358.1253
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Product Description
Catalog Number:
AG00I1A1
Chemical Name:
Methyl2-Fluoro-3-iodo-6-(methylsulfonyl)benzoate
CAS Number:
1823565-96-3
Molecular Formula:
C9H8FIO4S
Molecular Weight:
358.1253
MDL Number:
MFCD28154655
IUPAC Name:
methyl 2-fluoro-3-iodo-6-methylsulfonylbenzoate
InChI:
InChI=1S/C9H8FIO4S/c1-15-9(12)7-6(16(2,13)14)4-3-5(11)8(7)10/h3-4H,1-2H3
InChI Key:
JHKYYBVJHYNQAO-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)c(I)ccc1S(=O)(=O)C
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.917g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.122g/mol
Monoisotopic Mass:
357.917g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties