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174180-43-9 | 1H-Indazole-1-carboxylic acid, 6-fluoro-3-methyl-, 1,1-dimethylethyl ester
CAS No: 174180-43-9 Catalog No: AG001ZHL MDL No:
Product Description
Catalog Number:
AG001ZHL
Chemical Name:
1H-Indazole-1-carboxylic acid, 6-fluoro-3-methyl-, 1,1-dimethylethyl ester
CAS Number:
174180-43-9
Molecular Formula:
C13H15FN2O2
Molecular Weight:
250.2688
IUPAC Name:
tert-butyl 6-fluoro-3-methylindazole-1-carboxylate
InChI:
InChI=1S/C13H15FN2O2/c1-8-10-6-5-9(14)7-11(10)16(15-8)12(17)18-13(2,3)4/h5-7H,1-4H3
InChI Key:
DUCCZQPTYHOBJG-UHFFFAOYSA-N
SMILES:
O=C(n1nc(c2c1cc(F)cc2)C)OC(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.273g/mol
Monoisotopic Mass:
250.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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