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101581-06-0 | Benzene, 1,3-dibromo-2-methyl-5-nitro-
CAS No: 101581-06-0 Catalog No: AG0004UM MDL No:MFCD00151807
Product Description
Catalog Number:
AG0004UM
Chemical Name:
Benzene, 1,3-dibromo-2-methyl-5-nitro-
CAS Number:
101581-06-0
Molecular Formula:
C7H5Br2NO2
Molecular Weight:
294.9281
MDL Number:
MFCD00151807
IUPAC Name:
1,3-dibromo-2-methyl-5-nitrobenzene
InChI:
InChI=1S/C7H5Br2NO2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,1H3
InChI Key:
HGDQAFSQPJJIFA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(c(c1)Br)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.867g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.93g/mol
Monoisotopic Mass:
292.869g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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