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

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

CAS No.:
1803600-39-6
Catalog Number:
AG01BGG1
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
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Product Description
Catalog Number:
AG01BGG1
Chemical Name:
3-bromo-N,2-dimethyl-6-nitroaniline
CAS Number:
1803600-39-6
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
MDL Number:
MFCD28125118
IUPAC Name:
3-bromo-N,2-dimethyl-6-nitroaniline
InChI:
InChI=1S/C8H9BrN2O2/c1-5-6(9)3-4-7(11(12)13)8(5)10-2/h3-4,10H,1-2H3
InChI Key:
BKLHKYCBLIMUBX-UHFFFAOYSA-N
SMILES:
CNc1c(ccc(c1C)Br)[N+](=O)[O-]
Properties
Complexity:
195  
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:
1  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties