Home Nitros 2,2,2-trifluoroethyl N-(4-methyl-3-nitrophenyl)carbamate

2,2,2-trifluoroethyl N-(4-methyl-3-nitrophenyl)carbamate

CAS No.:
1087798-32-0
Catalog Number:
AG019QVA
Molecular Formula:
C10H9F3N2O4
Molecular Weight:
278.1847
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Product Description
Catalog Number:
AG019QVA
Chemical Name:
2,2,2-trifluoroethyl N-(4-methyl-3-nitrophenyl)carbamate
CAS Number:
1087798-32-0
Molecular Formula:
C10H9F3N2O4
Molecular Weight:
278.1847
MDL Number:
MFCD11099864
IUPAC Name:
2,2,2-trifluoroethyl N-(4-methyl-3-nitrophenyl)carbamate
InChI:
InChI=1S/C10H9F3N2O4/c1-6-2-3-7(4-8(6)15(17)18)14-9(16)19-5-10(11,12)13/h2-4H,5H2,1H3,(H,14,16)
InChI Key:
VXLCTEVJRXVGFO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)OCC(F)(F)F
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.051g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.187g/mol
Monoisotopic Mass:
278.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties