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Home > Nitro Compounds > 330566-37-5
330566-37-5 | 5-{[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
CAS No: 330566-37-5 Catalog No: AG00IU6D MDL No:MFCD00380989
Product Description
Catalog Number:
AG00IU6D
Chemical Name:
5-{[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
CAS Number:
330566-37-5
Molecular Formula:
C15H14N4O6
Molecular Weight:
346.2949
MDL Number:
MFCD00380989
IUPAC Name:
5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C15H14N4O6/c20-13-10(14(21)17-15(22)16-13)7-9-1-2-11(12(8-9)19(23)24)18-3-5-25-6-4-18/h1-2,7-8H,3-6H2,(H2,16,17,20,21,22)
InChI Key:
RBOBRXMRTBQGHS-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])N2CCOCC2)C(=O)N1
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.091g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.299g/mol
Monoisotopic Mass:
346.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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