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136757-06-7 | Carbamic acid, N-[4-(trifluoromethoxy)phenyl]-, ethyl ester
CAS No: 136757-06-7 Catalog No: AG0012AF MDL No:
Product Description
Catalog Number:
AG0012AF
Chemical Name:
Carbamic acid, N-[4-(trifluoromethoxy)phenyl]-, ethyl ester
CAS Number:
136757-06-7
Molecular Formula:
C10H10F3NO3
Molecular Weight:
249.1865
IUPAC Name:
ethyl N-[4-(trifluoromethoxy)phenyl]carbamate
InChI:
InChI=1S/C10H10F3NO3/c1-2-16-9(15)14-7-3-5-8(6-4-7)17-10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChI Key:
KECDYCPSXCCURD-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.189g/mol
Monoisotopic Mass:
249.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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