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913836-18-7 | Methyl 2-iodonicotinate
CAS No: 913836-18-7 Catalog No: AG003RO9 MDL No:MFCD08689498
Product Description
Catalog Number:
AG003RO9
Chemical Name:
Methyl 2-iodonicotinate
CAS Number:
913836-18-7
Molecular Formula:
C7H6INO2
Molecular Weight:
263.0325
MDL Number:
MFCD08689498
IUPAC Name:
methyl 2-iodopyridine-3-carboxylate
InChI:
InChI=1S/C7H6INO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3
InChI Key:
CCCNMWCQSYSBJU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccnc1I
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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