200,000+ products from a single source!
sales@angenechem.com
115007-18-6 | 1H-Indole-3-ethanamine, N-(2,4-dinitrophenyl)-5-methoxy-
CAS No: 115007-18-6 Catalog No: AG000FL4 MDL No:
Product Description
Catalog Number:
AG000FL4
Chemical Name:
1H-Indole-3-ethanamine, N-(2,4-dinitrophenyl)-5-methoxy-
CAS Number:
115007-18-6
Molecular Formula:
C17H16N4O5
Molecular Weight:
356.3327
IUPAC Name:
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dinitroaniline
InChI:
InChI=1S/C17H16N4O5/c1-26-13-3-5-15-14(9-13)11(10-19-15)6-7-18-16-4-2-12(20(22)23)8-17(16)21(24)25/h2-5,8-10,18-19H,6-7H2,1H3
InChI Key:
ODQMCTXUHFTMIE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c[nH]2
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.338g/mol
Monoisotopic Mass:
356.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.