Home Sulfos ethyl 4-[(chlorosulfonyl)methyl]-4-fluorocyclohexane-1-carboxylate, Mixture of diastereomers

ethyl 4-[(chlorosulfonyl)methyl]-4-fluorocyclohexane-1-carboxylate, Mixture of diastereomers

CAS No.:
1955498-99-3
Catalog Number:
AG01BC02
Molecular Formula:
C10H16ClFO4S
Molecular Weight:
286.7480
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Product Description
Catalog Number:
AG01BC02
Chemical Name:
ethyl 4-[(chlorosulfonyl)methyl]-4-fluorocyclohexane-1-carboxylate, Mixture of diastereomers
CAS Number:
1955498-99-3
Molecular Formula:
C10H16ClFO4S
Molecular Weight:
286.7480
MDL Number:
MFCD28506121
IUPAC Name:
ethyl 4-(chlorosulfonylmethyl)-4-fluorocyclohexane-1-carboxylate
InChI:
InChI=1S/C10H16ClFO4S/c1-2-16-9(13)8-3-5-10(12,6-4-8)7-17(11,14)15/h8H,2-7H2,1H3
InChI Key:
JQYBQMFDZDQZGN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(CC1)(F)CS(=O)(=O)Cl
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.044g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.742g/mol
Monoisotopic Mass:
286.044g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties