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16766-91-9 | Benzene, 1,4-bis(tribromomethyl)-
CAS No: 16766-91-9 Catalog No: AG001XJ6 MDL No:
Product Description
Catalog Number:
AG001XJ6
Chemical Name:
Benzene, 1,4-bis(tribromomethyl)-
CAS Number:
16766-91-9
Molecular Formula:
C8H4Br6
Molecular Weight:
579.5414
IUPAC Name:
1,4-bis(tribromomethyl)benzene
InChI:
InChI=1S/C8H4Br6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
InChI Key:
IGOLLIYZEGOLRR-UHFFFAOYSA-N
SMILES:
BrC(c1ccc(cc1)C(Br)(Br)Br)(Br)Br
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
579.535g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
579.544g/mol
Monoisotopic Mass:
573.541g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Concomitant but disappearing: two polymorphs of 1,4-bis(tribromomethyl)benzene. | Acta crystallographica. Section C, Crystal structure communications 20111001 |
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