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1016501-71-5 | 4-(2-Fluoro-phenoxy)butanenitrile
CAS No: 1016501-71-5 Catalog No: AG01FE9Y MDL No:
Product Description
Catalog Number:
AG01FE9Y
Chemical Name:
4-(2-Fluoro-phenoxy)butanenitrile
CAS Number:
1016501-71-5
Molecular Formula:
C10H10FNO
Molecular Weight:
179.1909
IUPAC Name:
4-(2-fluorophenoxy)butanenitrile
InChI:
InChI=1S/C10H10FNO/c11-9-5-1-2-6-10(9)13-8-4-3-7-12/h1-2,5-6H,3-4,8H2
InChI Key:
YJPCXRAHJKHJLN-UHFFFAOYSA-N
SMILES:
N#CCCCOc1ccccc1F
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.194g/mol
Monoisotopic Mass:
179.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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