methyl 4-bromo-2,6-dinitrobenzoate


Chemical Name: methyl 4-bromo-2,6-dinitrobenzoate
CAS Number: 1272756-03-2
Product Number: AG000WVC(AGN-PC-0J0Y38)
Synonyms:
MDL No: MFCD18651710
Molecular Formula: C8H5BrN2O6
Molecular Weight: 305.0391

Identification/Properties


Computed Properties
Molecular Weight:
305.04g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
303.933g/mol
Monoisotopic Mass:
303.933g/mol
Topological Polar Surface Area:
118A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
314
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

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NMR Spectrum


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