200,000+ products from a single source!
sales@angenechem.com
129487-99-6 | 1H-Indole-1-carboxylic acid, 2,3-dihydro-6-nitro-, 1,1-dimethylethyl ester
CAS No: 129487-99-6 Catalog No: AG000Z6F MDL No:MFCD11617234
Product Description
Catalog Number:
AG000Z6F
Chemical Name:
1H-Indole-1-carboxylic acid, 2,3-dihydro-6-nitro-, 1,1-dimethylethyl ester
CAS Number:
129487-99-6
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
MDL Number:
MFCD11617234
IUPAC Name:
tert-butyl 6-nitro-2,3-dihydroindole-1-carboxylate
InChI:
InChI=1S/C13H16N2O4/c1-13(2,3)19-12(16)14-7-6-9-4-5-10(15(17)18)8-11(9)14/h4-5,8H,6-7H2,1-3H3
InChI Key:
WZRINQCGMYWFFT-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c1cc(cc2)[N+](=O)[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:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.