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1248273-64-4 | 5-(3-Fluoro-phenoxy)pentanenitrile
CAS No: 1248273-64-4 Catalog No: AG01FE3X MDL No:
Product Description
Catalog Number:
AG01FE3X
Chemical Name:
5-(3-Fluoro-phenoxy)pentanenitrile
CAS Number:
1248273-64-4
Molecular Formula:
C11H12FNO
Molecular Weight:
193.2175
IUPAC Name:
5-(3-fluorophenoxy)pentanenitrile
InChI:
InChI=1S/C11H12FNO/c12-10-5-4-6-11(9-10)14-8-3-1-2-7-13/h4-6,9H,1-3,8H2
InChI Key:
VJBTVODYGQZIJC-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1cccc(c1)F
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.221g/mol
Monoisotopic Mass:
193.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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