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Home > Nitro Compounds > 274924-66-2
274924-66-2 | 1,2-Benzenedicarbonitrile, 4-(4-morpholinyl)-5-nitro-
CAS No: 274924-66-2 Catalog No: AG002TXE MDL No:
Product Description
Catalog Number:
AG002TXE
Chemical Name:
1,2-Benzenedicarbonitrile, 4-(4-morpholinyl)-5-nitro-
CAS Number:
274924-66-2
Molecular Formula:
C12H10N4O3
Molecular Weight:
258.2328
IUPAC Name:
4-morpholin-4-yl-5-nitrobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C12H10N4O3/c13-7-9-5-11(15-1-3-19-4-2-15)12(16(17)18)6-10(9)8-14/h5-6H,1-4H2
InChI Key:
SQJCBBDYGBLGAY-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N2CCOCC2)c(cc1C#N)[N+](=O)[O-]
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.237g/mol
Monoisotopic Mass:
258.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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