Home Nitriles 4-fluoro-3-(methoxymethyl)benzonitrile

4-fluoro-3-(methoxymethyl)benzonitrile

CAS No.:
1017035-13-0
Catalog Number:
AG01B3WT
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
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Product Description
Catalog Number:
AG01B3WT
Chemical Name:
4-fluoro-3-(methoxymethyl)benzonitrile
CAS Number:
1017035-13-0
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
MDL Number:
MFCD09938614
IUPAC Name:
4-fluoro-3-(methoxymethyl)benzonitrile
InChI:
InChI=1S/C9H8FNO/c1-12-6-8-4-7(5-11)2-3-9(8)10/h2-4H,6H2,1H3
InChI Key:
OSUBFWPHMCNSDM-UHFFFAOYSA-N
SMILES:
COCc1cc(C#N)ccc1F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.167g/mol
Monoisotopic Mass:
165.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties