Home Nitriles 4-fluoro-3-[(2-methoxyethoxy)methyl]benzonitrile

4-fluoro-3-[(2-methoxyethoxy)methyl]benzonitrile

CAS No.:
1016842-52-6
Catalog Number:
AG01B555
Molecular Formula:
C11H12FNO2
Molecular Weight:
209.2169
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Product Description
Catalog Number:
AG01B555
Chemical Name:
4-fluoro-3-[(2-methoxyethoxy)methyl]benzonitrile
CAS Number:
1016842-52-6
Molecular Formula:
C11H12FNO2
Molecular Weight:
209.2169
MDL Number:
MFCD09949224
IUPAC Name:
4-fluoro-3-(2-methoxyethoxymethyl)benzonitrile
InChI:
InChI=1S/C11H12FNO2/c1-14-4-5-15-8-10-6-9(7-13)2-3-11(10)12/h2-3,6H,4-5,8H2,1H3
InChI Key:
YBVZKUUYWNLNJF-UHFFFAOYSA-N
SMILES:
COCCOCc1cc(ccc1F)C#N
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.22g/mol
Monoisotopic Mass:
209.085g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties