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134579-47-8 | Methyl 2-iodoisonicotinate
CAS No: 134579-47-8 Catalog No: AG007ZXH MDL No:MFCD08235123
Product Description
Catalog Number:
AG007ZXH
Chemical Name:
Methyl 2-iodoisonicotinate
CAS Number:
134579-47-8
Molecular Formula:
C7H6INO2
Molecular Weight:
263.0325
MDL Number:
MFCD08235123
IUPAC Name:
methyl 2-iodopyridine-4-carboxylate
InChI:
InChI=1S/C7H6INO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3
InChI Key:
XXOKMYMXDALOEN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1)I
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.944g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.034g/mol
Monoisotopic Mass:
262.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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