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

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

CAS No.:
1248655-94-8
Catalog Number:
AG01AJOO
Molecular Formula:
C11H15FN2O2
Molecular Weight:
226.2474
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AJOO
Chemical Name:
2-amino-5-(tert-butylamino)-4-fluorobenzoic acid
CAS Number:
1248655-94-8
Molecular Formula:
C11H15FN2O2
Molecular Weight:
226.2474
MDL Number:
MFCD16159096
IUPAC Name:
2-amino-5-(tert-butylamino)-4-fluorobenzoic acid
InChI:
InChI=1S/C11H15FN2O2/c1-11(2,3)14-9-4-6(10(15)16)8(13)5-7(9)12/h4-5,14H,13H2,1-3H3,(H,15,16)
InChI Key:
UMNMXJZHBFJIQF-UHFFFAOYSA-N
SMILES:
Fc1cc(N)c(cc1NC(C)(C)C)C(=O)O
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.112g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
226.251g/mol
Monoisotopic Mass:
226.112g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties