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1253789-02-4 | 1H-Indazole-1-carboxylic acid, 4-fluoro-6-(phenylmethoxy)-, 1,1-dimethylethyl ester
CAS No: 1253789-02-4 Catalog No: AG000NK0 MDL No:MFCD19443334
Product Description
Catalog Number:
AG000NK0
Chemical Name:
1H-Indazole-1-carboxylic acid, 4-fluoro-6-(phenylmethoxy)-, 1,1-dimethylethyl ester
CAS Number:
1253789-02-4
Molecular Formula:
C19H19FN2O3
Molecular Weight:
342.3642
MDL Number:
MFCD19443334
IUPAC Name:
tert-butyl 4-fluoro-6-phenylmethoxyindazole-1-carboxylate
InChI:
InChI=1S/C19H19FN2O3/c1-19(2,3)25-18(23)22-17-10-14(9-16(20)15(17)11-21-22)24-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChI Key:
AEEAXDCVECAIPT-UHFFFAOYSA-N
SMILES:
O=C(n1ncc2c1cc(OCc1ccccc1)cc2F)OC(C)(C)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.138g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.37g/mol
Monoisotopic Mass:
342.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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