Home Nitriles 3-(3-fluoro-4-methylphenyl)-3-oxopropanenitrile

3-(3-fluoro-4-methylphenyl)-3-oxopropanenitrile

CAS No.:
1016770-89-0
Catalog Number:
AG01A4BP
Molecular Formula:
C10H8FNO
Molecular Weight:
177.1750
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Product Description
Catalog Number:
AG01A4BP
Chemical Name:
3-(3-fluoro-4-methylphenyl)-3-oxopropanenitrile
CAS Number:
1016770-89-0
Molecular Formula:
C10H8FNO
Molecular Weight:
177.1750
MDL Number:
MFCD09934420
IUPAC Name:
3-(3-fluoro-4-methylphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H8FNO/c1-7-2-3-8(6-9(7)11)10(13)4-5-12/h2-3,6H,4H2,1H3
InChI Key:
FGZGIINFPPEXEQ-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(c(c1)F)C
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.178g/mol
Monoisotopic Mass:
177.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties