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Home Carboxys tert-butyl 5-nitroindole-1-carboxylate

tert-butyl 5-nitroindole-1-carboxylate

CAS No.:
166104-19-4
Catalog Number:
AG001WI0
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$82
- +
5g
97%
In Stock USA
United States
$263
- +
10g
97%
In Stock USA
United States
$450
- +
25g
97%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG001WI0
Chemical Name:
tert-butyl 5-nitroindole-1-carboxylate
CAS Number:
166104-19-4
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
MDL Number:
MFCD09953094
IUPAC Name:
tert-butyl 5-nitroindole-1-carboxylate
InChI:
InChI=1S/C13H14N2O4/c1-13(2,3)19-12(16)14-7-6-9-8-10(15(17)18)4-5-11(9)14/h4-8H,1-3H3
InChI Key:
GSHXPDVMVVLYLH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ccn2C(=O)OC(C)(C)C
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties