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164526-07-2 | Methanone, (2-chlorophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS No: 164526-07-2 Catalog No: AG001UXT MDL No:MFCD00604246
Product Description
Catalog Number:
AG001UXT
Chemical Name:
Methanone, (2-chlorophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS Number:
164526-07-2
Molecular Formula:
C15H11ClO3
Molecular Weight:
274.6990
MDL Number:
MFCD00604246
IUPAC Name:
(2-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
InChI:
InChI=1S/C15H11ClO3/c16-12-4-2-1-3-11(12)15(17)10-5-6-13-14(9-10)19-8-7-18-13/h1-6,9H,7-8H2
InChI Key:
ZYMLUQLZIRHDPQ-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C(=O)c1ccc2c(c1)OCCO2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.04g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.7g/mol
Monoisotopic Mass:
274.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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