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119584-72-4 | Benzonitrile, 2-(ethylamino)-6-fluoro-
CAS No: 119584-72-4 Catalog No: AG000IZR MDL No:MFCD12193244
Product Description
Catalog Number:
AG000IZR
Chemical Name:
Benzonitrile, 2-(ethylamino)-6-fluoro-
CAS Number:
119584-72-4
Molecular Formula:
C9H9FN2
Molecular Weight:
164.1796
MDL Number:
MFCD12193244
IUPAC Name:
2-(ethylamino)-6-fluorobenzonitrile
InChI:
InChI=1S/C9H9FN2/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-5,12H,2H2,1H3
InChI Key:
BGLZOTRRZALIFR-UHFFFAOYSA-N
SMILES:
CCNc1cccc(c1C#N)F
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.183g/mol
Monoisotopic Mass:
164.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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