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Home > Bromides > 1333319-71-3
1333319-71-3 | 1H-Indazole-1-carboxylic acid, 4-bromo-6-fluoro-, 1,1-dimethylethyl ester
CAS No: 1333319-71-3 Catalog No: AG0014O4 MDL No:
Product Description
Catalog Number:
AG0014O4
Chemical Name:
1H-Indazole-1-carboxylic acid, 4-bromo-6-fluoro-, 1,1-dimethylethyl ester
CAS Number:
1333319-71-3
Molecular Formula:
C12H12BrFN2O2
Molecular Weight:
315.1383
IUPAC Name:
tert-butyl 4-bromo-6-fluoroindazole-1-carboxylate
InChI:
InChI=1S/C12H12BrFN2O2/c1-12(2,3)18-11(17)16-10-5-7(14)4-9(13)8(10)6-15-16/h4-6H,1-3H3
InChI Key:
YQFHTRSJLSEGAE-UHFFFAOYSA-N
SMILES:
Fc1cc(Br)c2c(c1)n(nc2)C(=O)OC(C)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.142g/mol
Monoisotopic Mass:
314.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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