200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1253789-61-5
1253789-61-5 | 1H-Indazole-1-carboxylic acid, 4-fluoro-6-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1253789-61-5 Catalog No: AG000NL5 MDL No:MFCD19443335
Product Description
Catalog Number:
AG000NL5
Chemical Name:
1H-Indazole-1-carboxylic acid, 4-fluoro-6-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1253789-61-5
Molecular Formula:
C12H13FN2O3
Molecular Weight:
252.2416
MDL Number:
MFCD19443335
IUPAC Name:
tert-butyl 4-fluoro-6-hydroxyindazole-1-carboxylate
InChI:
InChI=1S/C12H13FN2O3/c1-12(2,3)18-11(17)15-10-5-7(16)4-9(13)8(10)6-14-15/h4-6,16H,1-3H3
InChI Key:
NRGXGELVOCHACK-UHFFFAOYSA-N
SMILES:
Oc1cc(F)c2c(c1)n(nc2)C(=O)OC(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.245g/mol
Monoisotopic Mass:
252.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.