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Home > Fluorides > 111140-91-1
111140-91-1 | 3-(2-FLUOROPHENOXY)PROPANENITRILE
CAS No: 111140-91-1 Catalog No: AG0082W3 MDL No:MFCD01569390
Product Description
Catalog Number:
AG0082W3
Chemical Name:
3-(2-FLUOROPHENOXY)PROPANENITRILE
CAS Number:
111140-91-1
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
MDL Number:
MFCD01569390
IUPAC Name:
3-(2-fluorophenoxy)propanenitrile
InChI:
InChI=1S/C9H8FNO/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5H,3,7H2
InChI Key:
JNHSOIPTJHZTJB-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccccc1F
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.167g/mol
Monoisotopic Mass:
165.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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