Benzoic acid, 4-amino-2,3-difluoro-5-nitro-, methyl ester


Chemical Name: Benzoic acid, 4-amino-2,3-difluoro-5-nitro-, methyl ester
CAS Number: 284030-58-6
Product Number: AG007KOG(AGN-PC-0KKNGC)
Synonyms:
MDL No:
Molecular Formula: C8H6F2N2O4
Molecular Weight: 232.1410

Identification/Properties


Computed Properties
Molecular Weight:
232.143g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
232.03g/mol
Monoisotopic Mass:
232.03g/mol
Topological Polar Surface Area:
98.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
296
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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