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Home > Fluorides > 122008-86-0
122008-86-0 | Benzonitrile, 3-fluoro-4-(4-hydroxyphenoxy)-
CAS No: 122008-86-0 Catalog No: AG0016LZ MDL No:MFCD13159389
Product Description
Catalog Number:
AG0016LZ
Chemical Name:
Benzonitrile, 3-fluoro-4-(4-hydroxyphenoxy)-
CAS Number:
122008-86-0
Molecular Formula:
C13H8FNO2
Molecular Weight:
229.2065
MDL Number:
MFCD13159389
IUPAC Name:
3-fluoro-4-(4-hydroxyphenoxy)benzonitrile
InChI:
InChI=1S/C13H8FNO2/c14-12-7-9(8-15)1-6-13(12)17-11-4-2-10(16)3-5-11/h1-7,16H
InChI Key:
AWZMGTJMKXQLPR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)Oc1ccc(cc1)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.21g/mol
Monoisotopic Mass:
229.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 3-Fluoro-4-(4-hy-droxy-phen-oxy)benzonitrile. | Acta crystallographica. Section E, Structure reports online 20100701 |
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