Home Carboxys 1-Boc-5-fluoro-3-indazole-carboxylic acid

1-Boc-5-fluoro-3-indazole-carboxylic acid

CAS No.:
886368-29-2
Catalog Number:
AG008AFO
Molecular Formula:
C13H13FN2O4
Molecular Weight:
280.2517
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$273
- +
250mg
95%
In Stock USA
United States
$504
- +
1g
95%
In Stock USA
United States
$1008
- +
Product Description
Catalog Number:
AG008AFO
Chemical Name:
1-Boc-5-fluoro-3-indazole-carboxylic acid
CAS Number:
886368-29-2
Molecular Formula:
C13H13FN2O4
Molecular Weight:
280.2517
MDL Number:
MFCD03840730
IUPAC Name:
5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-3-carboxylic acid
InChI:
InChI=1S/C13H13FN2O4/c1-13(2,3)20-12(19)16-9-5-4-7(14)6-8(9)10(15-16)11(17)18/h4-6H,1-3H3,(H,17,18)
InChI Key:
OMQIWLDKTZMYOS-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(nn2C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.086g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.255g/mol
Monoisotopic Mass:
280.086g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties