Home Sulfos 2-Iodo-1-methanesulfonyl-4-methoxy-benzene

2-Iodo-1-methanesulfonyl-4-methoxy-benzene

CAS No.:
1965309-05-0
Catalog Number:
AG00ASX1
Molecular Formula:
C8H9IO3S
Molecular Weight:
312.1247
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Product Description
Catalog Number:
AG00ASX1
Chemical Name:
2-Iodo-1-methanesulfonyl-4-methoxy-benzene
CAS Number:
1965309-05-0
Molecular Formula:
C8H9IO3S
Molecular Weight:
312.1247
MDL Number:
MFCD30181850
IUPAC Name:
2-iodo-4-methoxy-1-methylsulfonylbenzene
InChI:
InChI=1S/C8H9IO3S/c1-12-6-3-4-8(7(9)5-6)13(2,10)11/h3-5H,1-2H3
InChI Key:
KMEZPWYKZGQQOQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)I)S(=O)(=O)C
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.932g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.121g/mol
Monoisotopic Mass:
311.932g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties