sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys tert-butyl3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate-B28585

tert-butyl3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate-B28585

CAS No.:
693826-97-0
Catalog Number:
AG019G4J
Molecular Formula:
C10H14F3NO2
Molecular Weight:
237.2189
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019G4J
Chemical Name:
tert-butyl3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate-B28585
CAS Number:
693826-97-0
Molecular Formula:
C10H14F3NO2
Molecular Weight:
237.2189
MDL Number:
MFCD24468819
IUPAC Name:
tert-butyl 3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxylate
InChI:
InChI=1S/C10H14F3NO2/c1-9(2,3)16-8(15)14-5-4-7(6-14)10(11,12)13/h4H,5-6H2,1-3H3
InChI Key:
VYTGKLCSSXKVTE-UHFFFAOYSA-N
SMILES:
O=C(N1CC=C(C1)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.098g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.222g/mol
Monoisotopic Mass:
237.098g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties