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Home > Fluorides > 898736-02-2
898736-02-2 | 2-[(3-Fluorophenyl)methoxy]benzonitrile
CAS No: 898736-02-2 Catalog No: AG01EYT2 MDL No:
Product Description
Catalog Number:
AG01EYT2
Chemical Name:
2-[(3-Fluorophenyl)methoxy]benzonitrile
CAS Number:
898736-02-2
Molecular Formula:
C14H10FNO
Molecular Weight:
227.2337
IUPAC Name:
2-[(3-fluorophenyl)methoxy]benzonitrile
InChI:
InChI=1S/C14H10FNO/c15-13-6-3-4-11(8-13)10-17-14-7-2-1-5-12(14)9-16/h1-8H,10H2
InChI Key:
NLVZKTRDEPCKHG-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1OCc1cccc(c1)F
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.238g/mol
Monoisotopic Mass:
227.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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