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160822-35-5 | Morpholine, 4,4'-(4-chloro-2,4-dinitro-1,3-butadien-1-ylidene)bis-
CAS No: 160822-35-5 Catalog No: AG001VE1 MDL No:
Product Description
Catalog Number:
AG001VE1
Chemical Name:
Morpholine, 4,4'-(4-chloro-2,4-dinitro-1,3-butadien-1-ylidene)bis-
CAS Number:
160822-35-5
Molecular Formula:
C12H17ClN4O6
Molecular Weight:
348.7396
IUPAC Name:
4-(4-chloro-1-morpholin-4-yl-2,4-dinitrobuta-1,3-dienyl)morpholine
InChI:
InChI=1S/C12H17ClN4O6/c13-11(17(20)21)9-10(16(18)19)12(14-1-5-22-6-2-14)15-3-7-23-8-4-15/h9H,1-8H2
InChI Key:
WYHRUYFCMWYDBZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=C(N1CCOCC1)N1CCOCC1)C=C([N+](=O)[O-])Cl
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.74g/mol
Monoisotopic Mass:
348.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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