Home Halogens tert-butyl 3-amino-2-chloro-6-fluorobenzoate

tert-butyl 3-amino-2-chloro-6-fluorobenzoate

CAS No.:
2090757-52-9
Catalog Number:
AG01B6V8
Molecular Formula:
C11H13ClFNO2
Molecular Weight:
245.6778
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B6V8
Chemical Name:
tert-butyl 3-amino-2-chloro-6-fluorobenzoate
CAS Number:
2090757-52-9
Molecular Formula:
C11H13ClFNO2
Molecular Weight:
245.6778
MDL Number:
MFCD31381047
IUPAC Name:
tert-butyl 3-amino-2-chloro-6-fluorobenzoate
InChI:
InChI=1S/C11H13ClFNO2/c1-11(2,3)16-10(15)8-6(13)4-5-7(14)9(8)12/h4-5H,14H2,1-3H3
InChI Key:
MBKHQZJYXOHDGK-UHFFFAOYSA-N
SMILES:
O=C(c1c(F)ccc(c1Cl)N)OC(C)(C)C
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.678g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties