Home Halogens 3-bromo-4-methyl-2-nitroaniline

3-bromo-4-methyl-2-nitroaniline

CAS No.:
1803582-59-3
Catalog Number:
AG01BESC
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
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Product Description
Catalog Number:
AG01BESC
Chemical Name:
3-bromo-4-methyl-2-nitroaniline
CAS Number:
1803582-59-3
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
MDL Number:
MFCD28139367
IUPAC Name:
3-bromo-4-methyl-2-nitroaniline
InChI:
InChI=1S/C7H7BrN2O2/c1-4-2-3-5(9)7(6(4)8)10(11)12/h2-3H,9H2,1H3
InChI Key:
BVSGAMRDRXMGAB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)ccc(c1Br)C
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:
2.7  
Properties