Benzoic acid, 3-(chloromethyl)-5-nitro-, methyl ester


Chemical Name: Benzoic acid, 3-(chloromethyl)-5-nitro-, methyl ester
CAS Number: 142320-39-6
Product Number: AG003RPR(AGN-PC-003D7W)
Synonyms:
MDL No: MFCD13689045
Molecular Formula: C9H8ClNO4
Molecular Weight: 229.6171

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
229.616g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
229.014g/mol
Monoisotopic Mass:
229.014g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
253
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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