200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 70487-18-2
70487-18-2 | 2H-Cycloocta[c]pyrrole, 6-nitro-1,3-diphenyl-
CAS No: 70487-18-2 Catalog No: AG005IH3 MDL No:
Product Description
Catalog Number:
AG005IH3
Chemical Name:
2H-Cycloocta[c]pyrrole, 6-nitro-1,3-diphenyl-
CAS Number:
70487-18-2
Molecular Formula:
C22H16N2O2
Molecular Weight:
340.3746
IUPAC Name:
6-nitro-1,3-diphenyl-2H-cycloocta[c]pyrrole
InChI:
InChI=1S/C22H16N2O2/c25-24(26)18-12-7-13-19-20(15-14-18)22(17-10-5-2-6-11-17)23-21(19)16-8-3-1-4-9-16/h1-15,23H
InChI Key:
WHXPYEMPTJVIHD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=CC=Cc2c(C=C1)c([nH]c2c1ccccc1)c1ccccc1
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.382g/mol
Monoisotopic Mass:
340.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
5.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.