Benzenepropanoic acid, 4-(chlorosulfonyl)-, methyl ester


Chemical Name: Benzenepropanoic acid, 4-(chlorosulfonyl)-, methyl ester
CAS Number: 374537-95-8
Product Number: AG003RPH(AGN-PC-03ZD3D)
Synonyms:
MDL No:
Molecular Formula: C10H11ClO4S
Molecular Weight: 262.7099

Identification/Properties


Properties
BP:
352°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
262.704g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
262.007g/mol
Monoisotopic Mass:
262.007g/mol
Topological Polar Surface Area:
68.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
325
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#:
3261
Hazard Statements:
H314-H318
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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