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116868-99-6 | Benzene, 1,1'-(2-bromoethylidene)bis[4-nitro-
CAS No: 116868-99-6 Catalog No: AG000DCA MDL No:
Product Description
Catalog Number:
AG000DCA
Chemical Name:
Benzene, 1,1'-(2-bromoethylidene)bis[4-nitro-
CAS Number:
116868-99-6
Molecular Formula:
C14H11BrN2O4
Molecular Weight:
351.1521
IUPAC Name:
1-[2-bromo-1-(4-nitrophenyl)ethyl]-4-nitrobenzene
InChI:
InChI=1S/C14H11BrN2O4/c15-9-14(10-1-5-12(6-2-10)16(18)19)11-3-7-13(8-4-11)17(20)21/h1-8,14H,9H2
InChI Key:
PRUWYTLPQZNWHL-UHFFFAOYSA-N
SMILES:
BrCC(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.99g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.156g/mol
Monoisotopic Mass:
349.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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