200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 478042-31-8
478042-31-8 | 2-[(3-nitrophenyl)methyl]-2H,3H,5H,6H-benzo[h]cinnolin-3-one
CAS No: 478042-31-8 Catalog No: AG00IPPI MDL No:MFCD02187076
Product Description
Catalog Number:
AG00IPPI
Chemical Name:
2-[(3-nitrophenyl)methyl]-2H,3H,5H,6H-benzo[h]cinnolin-3-one
CAS Number:
478042-31-8
Molecular Formula:
C19H15N3O3
Molecular Weight:
333.3407
MDL Number:
MFCD02187076
IUPAC Name:
2-[(3-nitrophenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one
InChI:
InChI=1S/C19H15N3O3/c23-18-11-15-9-8-14-5-1-2-7-17(14)19(15)20-21(18)12-13-4-3-6-16(10-13)22(24)25/h1-7,10-11H,8-9,12H2
InChI Key:
DLLBJZZYUKMQES-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)Cn1nc2c(cc1=O)CCc1c2cccc1
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.347g/mol
Monoisotopic Mass:
333.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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.