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Home > Nitro Compounds > 860612-27-7
860612-27-7 | 5-[(3,6-dimethoxy-2-nitrophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CAS No: 860612-27-7 Catalog No: AG00IT4V MDL No:MFCD04124216
Product Description
Catalog Number:
AG00IT4V
Chemical Name:
5-[(3,6-dimethoxy-2-nitrophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CAS Number:
860612-27-7
Molecular Formula:
C15H15N3O7
Molecular Weight:
349.2955
MDL Number:
MFCD04124216
IUPAC Name:
5-[(3,6-dimethoxy-2-nitrophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C15H15N3O7/c1-16-13(19)9(14(20)17(2)15(16)21)7-8-10(24-3)5-6-11(25-4)12(8)18(22)23/h5-7H,1-4H3
InChI Key:
SFYGMLCAJHDJHN-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C=C1C(=O)N(C)C(=O)N(C1=O)C)[N+](=O)[O-])OC
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.091g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.299g/mol
Monoisotopic Mass:
349.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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