Home Carbonyls 5-tert-Butoxycarbonylamino-2-fluoroisonicotinic acid

5-tert-Butoxycarbonylamino-2-fluoroisonicotinic acid

CAS No.:
171178-42-0
Catalog Number:
AG007U8G
Molecular Formula:
C11H13FN2O4
Molecular Weight:
256.2303
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$288
- +
Product Description
Catalog Number:
AG007U8G
Chemical Name:
5-tert-Butoxycarbonylamino-2-fluoroisonicotinic acid
CAS Number:
171178-42-0
Molecular Formula:
C11H13FN2O4
Molecular Weight:
256.2303
MDL Number:
MFCD09037863
IUPAC Name:
2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
InChI:
InChI=1S/C11H13FN2O4/c1-11(2,3)18-10(17)14-7-5-13-8(12)4-6(7)9(15)16/h4-5H,1-3H3,(H,14,17)(H,15,16)
InChI Key:
KGJLIDFAPYTBDU-UHFFFAOYSA-N
SMILES:
O=C(Nc1cnc(cc1C(=O)O)F)OC(C)(C)C
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.086g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.233g/mol
Monoisotopic Mass:
256.086g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties