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Home > Fluorides > 951888-50-9
951888-50-9 | 3-(4-Cyano-3-fluorophenyl)-1-propene
CAS No: 951888-50-9 Catalog No: AG01EZS9 MDL No:
Product Description
Catalog Number:
AG01EZS9
Chemical Name:
3-(4-Cyano-3-fluorophenyl)-1-propene
CAS Number:
951888-50-9
Molecular Formula:
C10H8FN
Molecular Weight:
161.1756
IUPAC Name:
2-fluoro-4-prop-2-enylbenzonitrile
InChI:
InChI=1S/C10H8FN/c1-2-3-8-4-5-9(7-12)10(11)6-8/h2,4-6H,1,3H2
InChI Key:
ONEWFGBXKNUPHD-UHFFFAOYSA-N
SMILES:
C=CCc1ccc(c(c1)F)C#N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.179g/mol
Monoisotopic Mass:
161.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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