methyl 4-bromo-5-fluoro-2-nitrobenzoate


Chemical Name: methyl 4-bromo-5-fluoro-2-nitrobenzoate
CAS Number: 1220886-29-2
Product Number: AG0016QG(AGN-PC-0HGDQY)
Synonyms:
MDL No:
Molecular Formula: C8H5BrFNO4
Molecular Weight: 278.0320

Identification/Properties


Computed Properties
Molecular Weight:
278.033g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
276.939g/mol
Monoisotopic Mass:
276.939g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
270
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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