Home Sulfos ethyl 5-(chlorosulfonyl)-2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 5-(chlorosulfonyl)-2-(trifluoromethyl)pyridine-3-carboxylate

CAS No.:
1803595-99-4
Catalog Number:
AG01B1EK
Molecular Formula:
C9H7ClF3NO4S
Molecular Weight:
317.6694
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Product Description
Catalog Number:
AG01B1EK
Chemical Name:
ethyl 5-(chlorosulfonyl)-2-(trifluoromethyl)pyridine-3-carboxylate
CAS Number:
1803595-99-4
Molecular Formula:
C9H7ClF3NO4S
Molecular Weight:
317.6694
MDL Number:
MFCD27959522
IUPAC Name:
ethyl 5-chlorosulfonyl-2-(trifluoromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C9H7ClF3NO4S/c1-2-18-8(15)6-3-5(19(10,16)17)4-14-7(6)9(11,12)13/h3-4H,2H2,1H3
InChI Key:
ZJMQDABLSOZRFX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(cnc1C(F)(F)F)S(=O)(=O)Cl
Properties
Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.974g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.663g/mol
Monoisotopic Mass:
316.974g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties