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89642-53-5 | 2-Chloro-6-iodobenzonitrile
CAS No: 89642-53-5 Catalog No: AG003W50 MDL No:MFCD01763605
Product Description
Catalog Number:
AG003W50
Chemical Name:
2-Chloro-6-iodobenzonitrile
CAS Number:
89642-53-5
Molecular Formula:
C7H3ClIN
Molecular Weight:
263.4629
MDL Number:
MFCD01763605
IUPAC Name:
2-chloro-6-iodobenzonitrile
InChI:
InChI=1S/C7H3ClIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChI Key:
MSYWVDNGKVMKIS-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)cccc1I
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.9g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.462g/mol
Monoisotopic Mass:
262.9g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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