200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 7507-66-6
7507-66-6 | 1,3,5-tris(4-nitrophenyl)-1,3,5-triazinane
CAS No: 7507-66-6 Catalog No: AG005QZJ MDL No:
Product Description
Catalog Number:
AG005QZJ
Chemical Name:
1,3,5-tris(4-nitrophenyl)-1,3,5-triazinane
CAS Number:
7507-66-6
Molecular Formula:
C21H18N6O6
Molecular Weight:
450.4042
IUPAC Name:
1,3,5-tris(4-nitrophenyl)-1,3,5-triazinane
InChI:
InChI=1S/C21H18N6O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-12H,13-15H2
InChI Key:
YOQXJHPQCLZWKX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1CN(CN(C1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
NSC Number:
401641
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.129g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.411g/mol
Monoisotopic Mass:
450.129g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.