Home Aminos 2-amino-5-(tert-butoxy)-4-fluorobenzoic acid

2-amino-5-(tert-butoxy)-4-fluorobenzoic acid

CAS No.:
1248015-27-1
Catalog Number:
AG019RRE
Molecular Formula:
C11H14FNO3
Molecular Weight:
227.2322
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Product Description
Catalog Number:
AG019RRE
Chemical Name:
2-amino-5-(tert-butoxy)-4-fluorobenzoic acid
CAS Number:
1248015-27-1
Molecular Formula:
C11H14FNO3
Molecular Weight:
227.2322
MDL Number:
MFCD16159172
IUPAC Name:
2-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxy]benzoic acid
InChI:
InChI=1S/C11H14FNO3/c1-11(2,3)16-9-4-6(10(14)15)8(13)5-7(9)12/h4-5H,13H2,1-3H3,(H,14,15)
InChI Key:
FKUPGSCTUWWIMH-UHFFFAOYSA-N
SMILES:
Fc1cc(N)c(cc1OC(C)(C)C)C(=O)O
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.096g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.235g/mol
Monoisotopic Mass:
227.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties