Home Bromides 101581-06-0
101581-06-0,MFCD00151807
Catalog No.:AA0004RU
101581-06-0 | Benzene, 1,3-dibromo-2-methyl-5-nitro-
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Technical Information
Catalog Number:
AA0004RU
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
Computed 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  

Synonyms
 
2,6-DIBROMO-4-NITROTOLUENE 
1,3-dibromo-2-methyl-5-nitrobenzene 
MFCD00151807 
AKOS024287557 
MCULE-4647487742 
VZ22853 
Benzene,1,3-dibromo-2-methyl-4-nitro- 
DA-16353 
DB-040900 
RT-006867 
ST2414797 
FT-0610555 
101581-06-0 
FT-0746590 
ST50408774 
1,3-bis(bromanyl)-2-methyl-5-nitro-benzene 
A802147 
I14-56982 
110127-07-6 
ZINC02517088 
1,3-Dibromo-2-methyl-4-nitrobenzene 
CID7015780 
HGDQAFSQPJJIFA-UHFFFAOYSA-N 
Benzene, 1,3-dibromo-2-methyl-5-nitro- 
ACMC-20ao9g 
SCHEMBL1362507 
CTK4A6788 
DTXSID20426763 
ZINC2517088 
Literature
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