Home Other Building Blocks 2,2,2-trifluoroethyl N-[4-(propan-2-yl)phenyl]carbamate

2,2,2-trifluoroethyl N-[4-(propan-2-yl)phenyl]carbamate

CAS No.:
1087798-27-3
Catalog Number:
AG019QV0
Molecular Formula:
C12H14F3NO2
Molecular Weight:
261.2403
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Product Description
Catalog Number:
AG019QV0
Chemical Name:
2,2,2-trifluoroethyl N-[4-(propan-2-yl)phenyl]carbamate
CAS Number:
1087798-27-3
Molecular Formula:
C12H14F3NO2
Molecular Weight:
261.2403
MDL Number:
MFCD11099853
IUPAC Name:
2,2,2-trifluoroethyl N-(4-propan-2-ylphenyl)carbamate
InChI:
InChI=1S/C12H14F3NO2/c1-8(2)9-3-5-10(6-4-9)16-11(17)18-7-12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChI Key:
LMCRAOMXMABBMZ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)NC(=O)OCC(F)(F)F)C
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.098g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.244g/mol
Monoisotopic Mass:
261.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties