Home Other Building Blocks 2,2,2-trifluoroethyl N-[3-(2-methylpropoxy)phenyl]carbamate

2,2,2-trifluoroethyl N-[3-(2-methylpropoxy)phenyl]carbamate

CAS No.:
1478813-80-7
Catalog Number:
AG01BFRE
Molecular Formula:
C13H16F3NO3
Molecular Weight:
291.2662
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Product Description
Catalog Number:
AG01BFRE
Chemical Name:
2,2,2-trifluoroethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CAS Number:
1478813-80-7
Molecular Formula:
C13H16F3NO3
Molecular Weight:
291.2662
MDL Number:
MFCD28118697
IUPAC Name:
2,2,2-trifluoroethyl N-[3-(2-methylpropoxy)phenyl]carbamate
InChI:
InChI=1S/C13H16F3NO3/c1-9(2)7-19-11-5-3-4-10(6-11)17-12(18)20-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChI Key:
PASGAXWSCOKSGH-UHFFFAOYSA-N
SMILES:
CC(COc1cccc(c1)NC(=O)OCC(F)(F)F)C
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.108g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.27g/mol
Monoisotopic Mass:
291.108g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties