Ethyl 4,5-Difluoro-2-nitrobenzoate


Chemical Name: Ethyl 4,5-Difluoro-2-nitrobenzoate
CAS Number: 1214387-06-0
Product Number: AG0014ZB(AGN-PC-02ZT0Z)
Synonyms:
MDL No: MFCD11042826
Molecular Formula: C9H7F2NO4
Molecular Weight: 231.1530

Identification/Properties


Computed Properties
Molecular Weight:
231.155g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
231.034g/mol
Monoisotopic Mass:
231.034g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
281
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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