Benzoic acid, 4-(ethylamino)-3-nitro-, methyl ester


Chemical Name: Benzoic acid, 4-(ethylamino)-3-nitro-, methyl ester
CAS Number: 396652-42-9
Product Number: AG00CLVE(AGN-PC-02WJTE)
Synonyms:
MDL No:
Molecular Formula: C10H12N2O4
Molecular Weight: 224.2133

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
224.216g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
224.08g/mol
Monoisotopic Mass:
224.08g/mol
Topological Polar Surface Area:
84.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
264
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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