Home Other Building Blocks 2,2,2-trifluoroethyl N-(3,5-dimethoxyphenyl)carbamate

2,2,2-trifluoroethyl N-(3,5-dimethoxyphenyl)carbamate

CAS No.:
1087797-91-8
Catalog Number:
AG019QS9
Molecular Formula:
C11H12F3NO4
Molecular Weight:
279.2125
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Product Description
Catalog Number:
AG019QS9
Chemical Name:
2,2,2-trifluoroethyl N-(3,5-dimethoxyphenyl)carbamate
CAS Number:
1087797-91-8
Molecular Formula:
C11H12F3NO4
Molecular Weight:
279.2125
MDL Number:
MFCD11099781
IUPAC Name:
2,2,2-trifluoroethyl N-(3,5-dimethoxyphenyl)carbamate
InChI:
InChI=1S/C11H12F3NO4/c1-17-8-3-7(4-9(5-8)18-2)15-10(16)19-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)
InChI Key:
IKMQAHDZHCPCGN-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=O)OCC(F)(F)F)cc(c1)OC
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.072g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.215g/mol
Monoisotopic Mass:
279.072g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties