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20469-63-0 | Benzene, 1-iodo-2,4-dimethoxy-
CAS No: 20469-63-0 Catalog No: AG0029NF MDL No:MFCD00059268
Product Description
Catalog Number:
AG0029NF
Chemical Name:
Benzene, 1-iodo-2,4-dimethoxy-
CAS Number:
20469-63-0
Molecular Formula:
C8H9IO2
Molecular Weight:
264.0603
MDL Number:
MFCD00059268
IUPAC Name:
1-iodo-2,4-dimethoxybenzene
InChI:
InChI=1S/C8H9IO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
InChI Key:
ZDUYJCKEORTAQE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)I
NSC Number:
89774
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.965g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.062g/mol
Monoisotopic Mass:
263.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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