Home Nitriles 4-(2-fluorophenyl)-2-methyl-4-oxobutanenitrile

4-(2-fluorophenyl)-2-methyl-4-oxobutanenitrile

CAS No.:
1181267-65-1
Catalog Number:
AG019RV6
Molecular Formula:
C11H10FNO
Molecular Weight:
191.2016
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Product Description
Catalog Number:
AG019RV6
Chemical Name:
4-(2-fluorophenyl)-2-methyl-4-oxobutanenitrile
CAS Number:
1181267-65-1
Molecular Formula:
C11H10FNO
Molecular Weight:
191.2016
MDL Number:
MFCD11893471
IUPAC Name:
4-(2-fluorophenyl)-2-methyl-4-oxobutanenitrile
InChI:
InChI=1S/C11H10FNO/c1-8(7-13)6-11(14)9-4-2-3-5-10(9)12/h2-5,8H,6H2,1H3
InChI Key:
GYJSPMDSBJGVMD-UHFFFAOYSA-N
SMILES:
N#CC(CC(=O)c1ccccc1F)C
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.205g/mol
Monoisotopic Mass:
191.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties