Home Sulfos methyl 2-chloro-5-(chlorosulfonyl)-4-fluorobenzoate

methyl 2-chloro-5-(chlorosulfonyl)-4-fluorobenzoate

CAS No.:
1154155-49-3
Catalog Number:
AG01BA49
Molecular Formula:
C8H5Cl2FO4S
Molecular Weight:
287.0923
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Product Description
Catalog Number:
AG01BA49
Chemical Name:
methyl 2-chloro-5-(chlorosulfonyl)-4-fluorobenzoate
CAS Number:
1154155-49-3
Molecular Formula:
C8H5Cl2FO4S
Molecular Weight:
287.0923
MDL Number:
MFCD12169489
IUPAC Name:
methyl 2-chloro-5-chlorosulfonyl-4-fluorobenzoate
InChI:
InChI=1S/C8H5Cl2FO4S/c1-15-8(12)4-2-7(16(10,13)14)6(11)3-5(4)9/h2-3H,1H3
InChI Key:
AULCPHOWJWXGCA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(cc1Cl)F)S(=O)(=O)Cl
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.927g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.082g/mol
Monoisotopic Mass:
285.927g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties