Home Other Building Blocks 2,2,2-trifluoroethyl N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]carbamate

2,2,2-trifluoroethyl N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]carbamate

CAS No.:
1221726-18-6
Catalog Number:
AG01A7LC
Molecular Formula:
C8H11F3N4O2
Molecular Weight:
252.1937
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Product Description
Catalog Number:
AG01A7LC
Chemical Name:
2,2,2-trifluoroethyl N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]carbamate
CAS Number:
1221726-18-6
Molecular Formula:
C8H11F3N4O2
Molecular Weight:
252.1937
MDL Number:
MFCD14705724
IUPAC Name:
2,2,2-trifluoroethyl N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]carbamate
InChI:
InChI=1S/C8H11F3N4O2/c1-2-15-5-13-14-6(15)3-12-7(16)17-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,16)
InChI Key:
IPBFCFYXCLJODK-UHFFFAOYSA-N
SMILES:
CCn1cnnc1CNC(=O)OCC(F)(F)F
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.083g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.197g/mol
Monoisotopic Mass:
252.083g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties