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1611-92-3 | Benzene, 1,3-dibromo-5-methyl-
CAS No: 1611-92-3 Catalog No: AG001S5N MDL No:MFCD00013528
Product Description
Catalog Number:
AG001S5N
Chemical Name:
Benzene, 1,3-dibromo-5-methyl-
CAS Number:
1611-92-3
Molecular Formula:
C7H6Br2
Molecular Weight:
249.9305
MDL Number:
MFCD00013528
IUPAC Name:
1,3-dibromo-5-methylbenzene
InChI:
InChI=1S/C7H6Br2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChI Key:
DPKKOVGCHDUSAI-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)cc(c1)Br
NSC Number:
87347
Properties
Complexity:
82.9
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:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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