200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 89221-35-2
89221-35-2 | Pyrimidine, 2,4,6-trimethyl-5-phenyl-, compd. with 2,4,6-trinitrophenol
CAS No: 89221-35-2 Catalog No: AG00440M MDL No:
Product Description
Catalog Number:
AG00440M
Chemical Name:
Pyrimidine, 2,4,6-trimethyl-5-phenyl-, compd. with 2,4,6-trinitrophenol
CAS Number:
89221-35-2
Molecular Formula:
C19H17N5O7
Molecular Weight:
427.3676
IUPAC Name:
2,4,6-trimethyl-5-phenylpyrimidine;2,4,6-trinitrophenol
InChI:
InChI=1S/C13H14N2.C6H3N3O7/c1-9-13(10(2)15-11(3)14-9)12-7-5-4-6-8-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8H,1-3H3;1-2,10H
InChI Key:
KYCHVYAUCIQPDS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.Cc1nc(C)c(c(n1)C)c1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.113g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.373g/mol
Monoisotopic Mass:
427.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.