200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 651717-31-6
651717-31-6 | 1H-Pyrazole, 3-(1,3-benzodioxol-5-yl)-5-(4-nitrophenyl)-
CAS No: 651717-31-6 Catalog No: AG00H8NE MDL No:
Product Description
Catalog Number:
AG00H8NE
Chemical Name:
1H-Pyrazole, 3-(1,3-benzodioxol-5-yl)-5-(4-nitrophenyl)-
CAS Number:
651717-31-6
Molecular Formula:
C16H11N3O4
Molecular Weight:
309.2762
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-5-(4-nitrophenyl)-1H-pyrazole
InChI:
InChI=1S/C16H11N3O4/c20-19(21)12-4-1-10(2-5-12)13-8-14(18-17-13)11-3-6-15-16(7-11)23-9-22-15/h1-8H,9H2,(H,17,18)
InChI Key:
JDWQCBOTYFAGCW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1[nH]nc(c1)c1ccc2c(c1)OCO2
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.281g/mol
Monoisotopic Mass:
309.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| 3,5-Diaryl-1H-pyrazole as a molecular scaffold for the synthesis of apoptosis-inducing agents. | Bioorganic & medicinal chemistry 20100501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.