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1380331-28-1 | 4-Pyridinecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-fluoro-, methyl ester
CAS No: 1380331-28-1 Catalog No: AG0017VP MDL No:
Product Description
Catalog Number:
AG0017VP
Chemical Name:
4-Pyridinecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-fluoro-, methyl ester
CAS Number:
1380331-28-1
Molecular Formula:
C12H15FN2O4
Molecular Weight:
270.2569
IUPAC Name:
methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
InChI:
InChI=1S/C12H15FN2O4/c1-12(2,3)19-11(17)15-9-5-7(10(16)18-4)8(13)6-14-9/h5-6H,1-4H3,(H,14,15,17)
InChI Key:
LTEXPORXWFUHGZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ncc1F)NC(=O)OC(C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.26g/mol
Monoisotopic Mass:
270.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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