Home Sulfos methyl 5-(chlorosulfonyl)-2-(trifluoromethoxy)benzoate

methyl 5-(chlorosulfonyl)-2-(trifluoromethoxy)benzoate

CAS No.:
2137562-31-1
Catalog Number:
AG01EIXZ
Molecular Formula:
C9H6ClF3O5S
Molecular Weight:
318.6541
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Product Description
Catalog Number:
AG01EIXZ
Chemical Name:
methyl 5-(chlorosulfonyl)-2-(trifluoromethoxy)benzoate
CAS Number:
2137562-31-1
Molecular Formula:
C9H6ClF3O5S
Molecular Weight:
318.6541
MDL Number:
MFCD31559417
IUPAC Name:
methyl 5-chlorosulfonyl-2-(trifluoromethoxy)benzoate
InChI:
InChI=1S/C9H6ClF3O5S/c1-17-8(14)6-4-5(19(10,15)16)2-3-7(6)18-9(11,12)13/h2-4H,1H3
InChI Key:
NZTWBDRWHAIORC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1OC(F)(F)F)S(=O)(=O)Cl
Properties
Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.958g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.647g/mol
Monoisotopic Mass:
317.958g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties