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1956366-51-0 | 6-iodo-5-methoxynicotinic acid
CAS No: 1956366-51-0 Catalog No: AG01DIP3 MDL No:MFCD29917108
Product Description
Catalog Number:
AG01DIP3
Chemical Name:
6-iodo-5-methoxynicotinic acid
CAS Number:
1956366-51-0
Molecular Formula:
C7H6INO3
Molecular Weight:
279.0319
MDL Number:
MFCD29917108
IUPAC Name:
6-iodo-5-methoxypyridine-3-carboxylic acid
InChI:
InChI=1S/C7H6INO3/c1-12-5-2-4(7(10)11)3-9-6(5)8/h2-3H,1H3,(H,10,11)
InChI Key:
LGTRHYSEFXUPHI-UHFFFAOYSA-N
SMILES:
COc1cc(cnc1I)C(=O)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.939g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.033g/mol
Monoisotopic Mass:
278.939g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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