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56442-14-9 | 4-[(4-Fluorophenyl)methoxy]benzonitrile
CAS No: 56442-14-9 Catalog No: AG01EWGY MDL No:
Product Description
Catalog Number:
AG01EWGY
Chemical Name:
4-[(4-Fluorophenyl)methoxy]benzonitrile
CAS Number:
56442-14-9
Molecular Formula:
C14H10FNO
Molecular Weight:
227.2337
IUPAC Name:
4-[(4-fluorophenyl)methoxy]benzonitrile
InChI:
InChI=1S/C14H10FNO/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8H,10H2
InChI Key:
XRYRTHRDVUSSMA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OCc1ccc(cc1)F
Properties
Complexity:
269
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
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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