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77350-52-8 | Benzamide, N,N-diethyl-4-iodo-
CAS No: 77350-52-8 Catalog No: AG005NP8 MDL No:MFCD02217872
Product Description
Catalog Number:
AG005NP8
Chemical Name:
Benzamide, N,N-diethyl-4-iodo-
CAS Number:
77350-52-8
Molecular Formula:
C11H14INO
Molecular Weight:
303.1394
MDL Number:
MFCD02217872
IUPAC Name:
N,N-diethyl-4-iodobenzamide
InChI:
InChI=1S/C11H14INO/c1-3-13(4-2)11(14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3
InChI Key:
GHOMPHXKTJFWCV-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1ccc(cc1)I)CC
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.143g/mol
Monoisotopic Mass:
303.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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