Home Sulfos methyl 2-(chlorosulfonyl)-5-cyanobenzoate

methyl 2-(chlorosulfonyl)-5-cyanobenzoate

CAS No.:
1909316-62-6
Catalog Number:
AG01C16D
Molecular Formula:
C9H6ClNO4S
Molecular Weight:
259.6662
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Product Description
Catalog Number:
AG01C16D
Chemical Name:
methyl 2-(chlorosulfonyl)-5-cyanobenzoate
CAS Number:
1909316-62-6
Molecular Formula:
C9H6ClNO4S
Molecular Weight:
259.6662
MDL Number:
MFCD29906785
IUPAC Name:
methyl 2-chlorosulfonyl-5-cyanobenzoate
InChI:
InChI=1S/C9H6ClNO4S/c1-15-9(12)7-4-6(5-11)2-3-8(7)16(10,13)14/h2-4H,1H3
InChI Key:
HVXSDFKNJRABFA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C#N)ccc1S(=O)(=O)Cl
Properties
Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.971g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.66g/mol
Monoisotopic Mass:
258.971g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties