Home Amines 1000342-34-6
1000342-34-6,MFCD09880011
Catalog No.:AA0000FR
Benzenamine, 3-bromo-2-methyl-5-nitro- | 1000342-34-6
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100mg
1 week  
$84.00
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250mg
1 week  
$134.00
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1g
1 week  
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000FR
Chemical Name:
Benzenamine, 3-bromo-2-methyl-5-nitro-
CAS Number:
1000342-34-6
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
MDL Number:
MFCD09880011
IUPAC Name:
3-bromo-2-methyl-5-nitroaniline
InChI:
InChI=1S/C7H7BrN2O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,9H2,1H3
InChI Key:
AORXQFQBVQILBL-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1C)Br)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.969g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.049g/mol
Monoisotopic Mass:
229.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
3-Bromo-2-methyl-5-nitroaniline 
1000342-34-6 
AK140949 
Benzenamine, 3-bromo-2-methyl-5-nitro- 
W-1120 
3-Bromo-2-methyl-5-nitroanilin 
DTXSID70646797 
3-Bromo-2-methyl-5-nitrobenzenamine 
MFCD09880011 
ZINC14986270 
AKOS022172978 
DS-7174 
AJ-66580 
Literature
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