Home Halogens 4-bromo-3,6-dimethyl-2-nitroaniline

4-bromo-3,6-dimethyl-2-nitroaniline

CAS No.:
717881-00-0
Catalog Number:
AG01BBGI
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
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Product Description
Catalog Number:
AG01BBGI
Chemical Name:
4-bromo-3,6-dimethyl-2-nitroaniline
CAS Number:
717881-00-0
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
MDL Number:
MFCD01851366
IUPAC Name:
4-bromo-3,6-dimethyl-2-nitroaniline
InChI:
InChI=1S/C8H9BrN2O2/c1-4-3-6(9)5(2)8(7(4)10)11(12)13/h3H,10H2,1-2H3
InChI Key:
PLSQIZWWMYJLCK-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c(c1C)[N+](=O)[O-])N
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.076g/mol
Monoisotopic Mass:
243.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties