Home Carbonyls N-Ethoxycarbonyl-5-nitro-o-toluidine

N-Ethoxycarbonyl-5-nitro-o-toluidine

CAS No.:
16648-52-5
Catalog Number:
AG001WRI
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>96.0%(GC)
1 week
United States
$155
- +
25g
>96.0%(GC)
1 week
United States
$405
- +
Product Description
Catalog Number:
AG001WRI
Chemical Name:
N-Ethoxycarbonyl-5-nitro-o-toluidine
CAS Number:
16648-52-5
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD00059827
IUPAC Name:
ethyl N-(2-methyl-5-nitrophenyl)carbamate
InChI:
InChI=1S/C10H12N2O4/c1-3-16-10(13)11-9-6-8(12(14)15)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,11,13)
InChI Key:
AYJFWTBDUMVOBQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(NC(=O)OCC)c(cc1)C
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties