Home Nitros 2,2,2-trifluoroethyl N-(2-methoxy-5-nitrophenyl)carbamate

2,2,2-trifluoroethyl N-(2-methoxy-5-nitrophenyl)carbamate

CAS No.:
1087788-70-2
Catalog Number:
AG019QT8
Molecular Formula:
C10H9F3N2O5
Molecular Weight:
294.1841
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Product Description
Catalog Number:
AG019QT8
Chemical Name:
2,2,2-trifluoroethyl N-(2-methoxy-5-nitrophenyl)carbamate
CAS Number:
1087788-70-2
Molecular Formula:
C10H9F3N2O5
Molecular Weight:
294.1841
MDL Number:
MFCD11099815
IUPAC Name:
2,2,2-trifluoroethyl N-(2-methoxy-5-nitrophenyl)carbamate
InChI:
InChI=1S/C10H9F3N2O5/c1-19-8-3-2-6(15(17)18)4-7(8)14-9(16)20-5-10(11,12)13/h2-4H,5H2,1H3,(H,14,16)
InChI Key:
TTWGIZRXJRNWJI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)OCC(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.046g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.186g/mol
Monoisotopic Mass:
294.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties