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615-59-8 | 1,4-Dibromo-2-methylbenzene
CAS No: 615-59-8 Catalog No: AG003FWX MDL No:MFCD00000090
Product Description
Catalog Number:
AG003FWX
Chemical Name:
1,4-Dibromo-2-methylbenzene
CAS Number:
615-59-8
Molecular Formula:
C7H6Br2
Molecular Weight:
249.9305
MDL Number:
MFCD00000090
IUPAC Name:
1,4-dibromo-2-methylbenzene
InChI:
InChI=1S/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChI Key:
QKEZTJYRBHOKHH-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C)Br
EC Number:
210-437-0
UNII:
BAX67T68IK
NSC Number:
6222
Properties
Complexity:
92.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.882g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.933g/mol
Monoisotopic Mass:
247.884g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Cyanide and thiocyanate in human saliva by gas chromatography-mass spectrometry. | Journal of analytical toxicology 20061001 |
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