Benzonitrile, 3-(bromomethyl)-4-fluoro-


Chemical Name: Benzonitrile, 3-(bromomethyl)-4-fluoro-
CAS Number: 856935-35-8
Product Number: AG003I74(AGN-PC-00UXC8)
Synonyms:
MDL No: MFCD08275458
Molecular Formula: C8H5BrFN
Molecular Weight: 214.0344

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
214.037g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
212.959g/mol
Monoisotopic Mass:
212.959g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
174
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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