Benzoic acid, 3-(difluoromethoxy)-


Chemical Name: Benzoic acid, 3-(difluoromethoxy)-
CAS Number: 4837-19-8
Product Number: AG003BAB(AGN-PC-0JWVRS)
Synonyms:
MDL No:
Molecular Formula: C8H6F2O3
Molecular Weight: 188.1282

Identification/Properties


Properties
MP:
105°C
BP:
287.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
188.13g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
188.029g/mol
Monoisotopic Mass:
188.029g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
184
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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