Benzoic acid, 2-amino-4,5-difluoro-


Chemical Name: Benzoic acid, 2-amino-4,5-difluoro-
CAS Number: 83506-93-8
Product Number: AG003GEE(AGN-PC-0JVO5H)
Synonyms:
MDL No: MFCD00077509
Molecular Formula: C7H5F2NO2
Molecular Weight: 173.1169

Identification/Properties


Properties
MP:
181-185 °C
BP:
326.8 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
173.119g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
173.029g/mol
Monoisotopic Mass:
173.029g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
188
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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