Benzonitrile, 2-fluoro-4,5-dimethoxy-


Chemical Name: Benzonitrile, 2-fluoro-4,5-dimethoxy-
CAS Number: 119396-88-2
Product Number: AG000IOK(AGN-PC-0KKW16)
Synonyms:
MDL No:
Molecular Formula: C9H8FNO2
Molecular Weight: 181.1637

Identification/Properties


Properties
MP:
143 °C
BP:
263.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
181.166g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
181.054g/mol
Monoisotopic Mass:
181.054g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
213
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:
Danger
UN#:
3276
Hazard Statements:
H301-H315-H319
Precautionary Statements:
P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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