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Home > Imidazoles > 51625-41-3
51625-41-3 | CIS-2,4,5-TRIS(3-NITROPHENYL)IMIDAZOLINE
CAS No: 51625-41-3 Catalog No: AG006URG MDL No:
Product Description
Catalog Number:
AG006URG
Chemical Name:
CIS-2,4,5-TRIS(3-NITROPHENYL)IMIDAZOLINE
CAS Number:
51625-41-3
Molecular Formula:
C21H15N5O6
Molecular Weight:
433.3737
IUPAC Name:
(4R,5S)-2,4,5-tris(3-nitrophenyl)-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C21H15N5O6/c27-24(28)16-7-1-4-13(10-16)19-20(14-5-2-8-17(11-14)25(29)30)23-21(22-19)15-6-3-9-18(12-15)26(31)32/h1-12,19-20H,(H,22,23)/t19-,20+
InChI Key:
FBMSEYNEDREPIQ-BGYRXZFFSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)[C@@H]1N=C(N[C@@H]1c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
759
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
433.102g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.38g/mol
Monoisotopic Mass:
433.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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