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6942-99-0 | 2,4-dibromo-1,3,5-trimethylBenzene
CAS No: 6942-99-0 Catalog No: AG003297 MDL No:MFCD00013525
Product Description
Catalog Number:
AG003297
Chemical Name:
2,4-dibromo-1,3,5-trimethylBenzene
CAS Number:
6942-99-0
Molecular Formula:
C9H10Br2
Molecular Weight:
277.9837
MDL Number:
MFCD00013525
IUPAC Name:
2,4-dibromo-1,3,5-trimethylbenzene
InChI:
InChI=1S/C9H10Br2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,1-3H3
InChI Key:
CIHJFEWFZJQTFE-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1Br)C)Br
EC Number:
230-100-1
NSC Number:
51629
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.913g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.987g/mol
Monoisotopic Mass:
275.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| The low-temperature phase of 1,3-dibromo-2,4,6-trimethylbenzene: a single-crystal neutron diffraction study at 120 and 14 K. | Acta crystallographica. Section C, Crystal structure communications 20030801 |
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