Home Halogens 4-bromo-2-methoxy-N-methyl-6-nitroaniline

4-bromo-2-methoxy-N-methyl-6-nitroaniline

CAS No.:
1799973-80-0
Catalog Number:
AG01DI1H
Molecular Formula:
C8H9BrN2O3
Molecular Weight:
261.0727
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Product Description
Catalog Number:
AG01DI1H
Chemical Name:
4-bromo-2-methoxy-N-methyl-6-nitroaniline
CAS Number:
1799973-80-0
Molecular Formula:
C8H9BrN2O3
Molecular Weight:
261.0727
MDL Number:
MFCD28969709
IUPAC Name:
4-bromo-2-methoxy-N-methyl-6-nitroaniline
InChI:
InChI=1S/C8H9BrN2O3/c1-10-8-6(11(12)13)3-5(9)4-7(8)14-2/h3-4,10H,1-2H3
InChI Key:
DOBMDBUZZCNJAY-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1NC)[N+](=O)[O-]
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.98g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.075g/mol
Monoisotopic Mass:
259.98g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties