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345-89-1 | (4-Fluorophenyl)(4-methoxyphenyl)methanone
CAS No: 345-89-1 Catalog No: AG003LEM MDL No:MFCD00055469
Product Description
Catalog Number:
AG003LEM
Chemical Name:
(4-Fluorophenyl)(4-methoxyphenyl)methanone
CAS Number:
345-89-1
Molecular Formula:
C14H11FO2
Molecular Weight:
230.2343
MDL Number:
MFCD00055469
IUPAC Name:
(4-fluorophenyl)-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C14H11FO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
InChI Key:
VWGWRNBIAWTWIB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1ccc(cc1)F
EC Number:
206-464-2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.238g/mol
Monoisotopic Mass:
230.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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