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3379-38-2 | 1,3-DIPHENOXYBENZENE
CAS No: 3379-38-2 Catalog No: AG003DKU MDL No:MFCD00003036
Product Description
Catalog Number:
AG003DKU
Chemical Name:
1,3-DIPHENOXYBENZENE
CAS Number:
3379-38-2
Molecular Formula:
C18H14O2
Molecular Weight:
262.3026
MDL Number:
MFCD00003036
IUPAC Name:
1,3-diphenoxybenzene
InChI:
InChI=1S/C18H14O2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h1-14H
InChI Key:
JTNRGGLCSLZOOQ-UHFFFAOYSA-N
SMILES:
c1cc(cc(c1)Oc1ccccc1)Oc1ccccc1
EC Number:
222-181-7
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.308g/mol
Monoisotopic Mass:
262.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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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