Benzoic acid, 4-(chlorosulfonyl)-, ethyl ester


Chemical Name: Benzoic acid, 4-(chlorosulfonyl)-, ethyl ester
CAS Number: 10486-51-8
Product Number: AG008VIQ(AGN-PC-0KY9YE)
Synonyms:
MDL No:
Molecular Formula: C9H9ClO4S
Molecular Weight: 248.6834

Identification/Properties


Computed Properties
Molecular Weight:
248.677g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
247.991g/mol
Monoisotopic Mass:
247.991g/mol
Topological Polar Surface Area:
68.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
312
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3265
Hazard Statements:
H314
Precautionary Statements:
P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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