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182170-73-6 | Benzene, 1,1'-(diazomethylene)bis[2,6-dibromo-4-(1,1-dimethylethyl)-
CAS No: 182170-73-6 Catalog No: AG0023FV MDL No:
Product Description
Catalog Number:
AG0023FV
Chemical Name:
Benzene, 1,1'-(diazomethylene)bis[2,6-dibromo-4-(1,1-dimethylethyl)-
CAS Number:
182170-73-6
Molecular Formula:
C21H22Br4N2
Molecular Weight:
622.0288
IUPAC Name:
1,3-dibromo-5-tert-butyl-2-[diazo-(2,6-dibromo-4-tert-butylphenyl)methyl]benzene
InChI:
InChI=1S/C21H22Br4N2/c1-20(2,3)11-7-13(22)17(14(23)8-11)19(27-26)18-15(24)9-12(10-16(18)25)21(4,5)6/h7-10H,1-6H3
InChI Key:
XIUOJSITQQEKNC-UHFFFAOYSA-N
SMILES:
CC(c1cc(Br)c(c(c1)Br)C(=[N+]=[N-])c1c(Br)cc(cc1Br)C(C)(C)C)(C)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
621.848g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
622.037g/mol
Monoisotopic Mass:
617.852g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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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