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7497-72-5 | (4-phenyl-1-cyclopenta-1,3-dienyl)benzene, 1,3,5-trinitrobenzene
CAS No: 7497-72-5 Catalog No: AG00GFL2 MDL No:
Product Description
Catalog Number:
AG00GFL2
Chemical Name:
(4-phenyl-1-cyclopenta-1,3-dienyl)benzene, 1,3,5-trinitrobenzene
CAS Number:
7497-72-5
IUPAC Name:
(4-phenylcyclopenta-1,3-dien-1-yl)benzene;1,3,5-trinitrobenzene
InChI:
InChI=1S/C17H14.C6H3N3O6/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-12H,13H2;1-3H
InChI Key:
IYHLNQSASNUORW-UHFFFAOYSA-N
NSC Number:
406811
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.112g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.404g/mol
Monoisotopic Mass:
431.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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