200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 900015-09-0
900015-09-0 | 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-2,3-dihydro-1H-isoindol-1-one
CAS No: 900015-09-0 Catalog No: AG00ITRD MDL No:MFCD07021401
Product Description
Catalog Number:
AG00ITRD
Chemical Name:
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-2,3-dihydro-1H-isoindol-1-one
CAS Number:
900015-09-0
Molecular Formula:
C18H18N2O5
Molecular Weight:
342.3459
MDL Number:
MFCD07021401
IUPAC Name:
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-3H-isoindol-1-one
InChI:
InChI=1S/C18H18N2O5/c1-24-16-7-6-12(10-17(16)25-2)8-9-19-11-14-13(18(19)21)4-3-5-15(14)20(22)23/h3-7,10H,8-9,11H2,1-2H3
InChI Key:
WLQIBFFYLDMVHP-UHFFFAOYSA-N
SMILES:
COc1cc(CCN2Cc3c(C2=O)cccc3[N+](=O)[O-])ccc1OC
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.351g/mol
Monoisotopic Mass:
342.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.