200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 821795-52-2
821795-52-2 | 2,4(1H,3H)-Pyrimidinedione, 1-(diphenylmethyl)-5-nitro-
CAS No: 821795-52-2 Catalog No: AG0050LX MDL No:
Product Description
Catalog Number:
AG0050LX
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(diphenylmethyl)-5-nitro-
CAS Number:
821795-52-2
Molecular Formula:
C17H13N3O4
Molecular Weight:
323.3028
IUPAC Name:
1-benzhydryl-5-nitropyrimidine-2,4-dione
InChI:
InChI=1S/C17H13N3O4/c21-16-14(20(23)24)11-19(17(22)18-16)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,(H,18,21,22)
InChI Key:
PZJOKDJBURSOCW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c(=O)[nH]c1=O)C(c1ccccc1)c1ccccc1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.091g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.308g/mol
Monoisotopic Mass:
323.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.