Benzoic acid, 3-(chlorocarbonyl)-, methyl ester


Chemical Name: Benzoic acid, 3-(chlorocarbonyl)-, methyl ester
CAS Number: 3441-03-0
Product Number: AG003RPQ(AGN-PC-00POOQ)
Synonyms:
MDL No:
Molecular Formula: C9H7ClO3
Molecular Weight: 198.6031

Identification/Properties


Properties
Storage:
2-8℃;Inert atmosphere;
Computed Properties
Molecular Weight:
198.602g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
198.008g/mol
Monoisotopic Mass:
198.008g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
215
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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