Benzoic acid, 3-fluoro-5-nitro-


Chemical Name: Benzoic acid, 3-fluoro-5-nitro-
CAS Number: 14027-75-9
Product Number: AG001C89(AGN-PC-0KKMY7)
Synonyms:
MDL No: MFCD05864360
Molecular Formula: C7H4FNO4
Molecular Weight: 185.1094

Identification/Properties


Computed Properties
Molecular Weight:
185.11g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
185.012g/mol
Monoisotopic Mass:
185.012g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
227
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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