Home Nitriles 3-Bromomethyl-5-fluoro-benzonitrile

3-Bromomethyl-5-fluoro-benzonitrile

CAS No.:
853368-35-1
Catalog Number:
AG00G9XR
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
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Product Description
Catalog Number:
AG00G9XR
Chemical Name:
3-Bromomethyl-5-fluoro-benzonitrile
CAS Number:
853368-35-1
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD18394044
IUPAC Name:
3-(bromomethyl)-5-fluorobenzonitrile
InChI:
InChI=1S/C8H5BrFN/c9-4-6-1-7(5-11)3-8(10)2-6/h1-3H,4H2
InChI Key:
SUIFNMFWHQFXIP-UHFFFAOYSA-N
SMILES:
BrCc1cc(C#N)cc(c1)F
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.037g/mol
Monoisotopic Mass:
212.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties