200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 88351-54-6
88351-54-6 | 5(4H)-Oxazolone, 2-(4-nitrophenyl)-4-(1-pyrenylmethylene)-
CAS No: 88351-54-6 Catalog No: AG0045SW MDL No:
Product Description
Catalog Number:
AG0045SW
Chemical Name:
5(4H)-Oxazolone, 2-(4-nitrophenyl)-4-(1-pyrenylmethylene)-
CAS Number:
88351-54-6
Molecular Formula:
C26H14N2O4
Molecular Weight:
418.4004
IUPAC Name:
2-(4-nitrophenyl)-4-(pyren-1-ylmethylidene)-1,3-oxazol-5-one
InChI:
InChI=1S/C26H14N2O4/c29-26-22(27-25(32-26)18-8-11-20(12-9-18)28(30)31)14-19-7-6-17-5-4-15-2-1-3-16-10-13-21(19)24(17)23(15)16/h1-14H
InChI Key:
KLEBHBRWKRGBPO-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=Cc1ccc2c3c1ccc1c3c(cc2)ccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
837
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.095g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.408g/mol
Monoisotopic Mass:
418.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.