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163686-46-2 | Benzene, 1,1'-(diazomethylene)bis[2,4,6-tribromo-
CAS No: 163686-46-2 Catalog No: AG001UAY MDL No:
Product Description
Catalog Number:
AG001UAY
Chemical Name:
Benzene, 1,1'-(diazomethylene)bis[2,4,6-tribromo-
CAS Number:
163686-46-2
Molecular Formula:
C13H4Br6N2
Molecular Weight:
667.6083
IUPAC Name:
1,3,5-tribromo-2-[diazo-(2,4,6-tribromophenyl)methyl]benzene
InChI:
InChI=1S/C13H4Br6N2/c14-5-1-7(16)11(8(17)2-5)13(21-20)12-9(18)3-6(15)4-10(12)19/h1-4H
InChI Key:
PUVJTCFSDMDWJL-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)cc(c1C(=[N+]=[N-])c1c(Br)cc(cc1Br)Br)Br
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
667.541g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
667.613g/mol
Monoisotopic Mass:
661.547g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
Literature
| Title | Journal |
|---|---|
| Structure determination of triplet diphenylcarbenes by in situ X-ray crystallographic analysis. | Journal of the American Chemical Society 20070227 |
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