200,000+ products from a single source!
sales@angenechem.com
166104-19-4 | 1H-Indole-1-carboxylic acid, 5-nitro-, 1,1-dimethylethyl ester
CAS No: 166104-19-4 Catalog No: AG001WI0 MDL No:MFCD09953094
Product Description
Catalog Number:
AG001WI0
Chemical Name:
1H-Indole-1-carboxylic acid, 5-nitro-, 1,1-dimethylethyl ester
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.