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25006-88-6 | Benzene, 2-bromo-1,3-bis(bromomethyl)-
CAS No: 25006-88-6 Catalog No: AG002Q5N MDL No:MFCD00229246
Product Description
Catalog Number:
AG002Q5N
Chemical Name:
Benzene, 2-bromo-1,3-bis(bromomethyl)-
CAS Number:
25006-88-6
Molecular Formula:
C8H7Br3
Molecular Weight:
342.8532
MDL Number:
MFCD00229246
IUPAC Name:
2-bromo-1,3-bis(bromomethyl)benzene
InChI:
InChI=1S/C8H7Br3/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2
InChI Key:
HSYMWXREIPJGHX-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1Br)CBr
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.808g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.856g/mol
Monoisotopic Mass:
339.81g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| 2-Bromo-1,3-bis(bromomethyl)benzene, with Z' = 1.5: whole-molecule disorder of one of the two independent molecules. | Acta crystallographica. Section C, Crystal structure communications 20060701 |
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