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Home > Nitro Compounds > 189276-80-0
189276-80-0 | 2-Propen-1-one, 1,2,3-tris(4-nitrophenyl)-, (E)- (9CI)
CAS No: 189276-80-0 Catalog No: AG002I6G MDL No:
Product Description
Catalog Number:
AG002I6G
Chemical Name:
2-Propen-1-one, 1,2,3-tris(4-nitrophenyl)-, (E)- (9CI)
CAS Number:
189276-80-0
Molecular Formula:
C21H13N3O7
Molecular Weight:
419.3438
IUPAC Name:
1,2,3-tris(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C21H13N3O7/c25-21(16-5-11-19(12-6-16)24(30)31)20(15-3-9-18(10-4-15)23(28)29)13-14-1-7-17(8-2-14)22(26)27/h1-13H
InChI Key:
NQYCEJUEOWCSEN-UHFFFAOYSA-N
SMILES:
O=C(/C(=C/c1ccc(cc1)[N+](=O)[O-])/c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.075g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.349g/mol
Monoisotopic Mass:
419.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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