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Home > Fluorides > 951888-69-0
951888-69-0 | 3-(3-Cyano-4-fluorophenyl)-2-methyl-1-propene
CAS No: 951888-69-0 Catalog No: AG01EZSK MDL No:
Product Description
Catalog Number:
AG01EZSK
Chemical Name:
3-(3-Cyano-4-fluorophenyl)-2-methyl-1-propene
CAS Number:
951888-69-0
Molecular Formula:
C11H10FN
Molecular Weight:
175.2022
IUPAC Name:
2-fluoro-5-(2-methylprop-2-enyl)benzonitrile
InChI:
InChI=1S/C11H10FN/c1-8(2)5-9-3-4-11(12)10(6-9)7-13/h3-4,6H,1,5H2,2H3
InChI Key:
AHDZRMCSFJGBEB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1F)CC(=C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.206g/mol
Monoisotopic Mass:
175.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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