Home Carboxys tert-butyl 2-(trifluoromethyl)-1H-pyrrole-1-carboxylate

tert-butyl 2-(trifluoromethyl)-1H-pyrrole-1-carboxylate

CAS No.:
1446436-59-4
Catalog Number:
AG01DKJQ
Molecular Formula:
C10H12F3NO2
Molecular Weight:
235.2030
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DKJQ
Chemical Name:
tert-butyl 2-(trifluoromethyl)-1H-pyrrole-1-carboxylate
CAS Number:
1446436-59-4
Molecular Formula:
C10H12F3NO2
Molecular Weight:
235.2030
IUPAC Name:
tert-butyl 2-(trifluoromethyl)pyrrole-1-carboxylate
InChI:
InChI=1S/C10H12F3NO2/c1-9(2,3)16-8(15)14-6-4-5-7(14)10(11,12)13/h4-6H,1-3H3
InChI Key:
ZTXUBBBNFDANEC-UHFFFAOYSA-N
SMILES:
O=C(n1cccc1C(F)(F)F)OC(C)(C)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.082g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.206g/mol
Monoisotopic Mass:
235.082g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties