Home Halogens 3-bromo-4-fluoro-6-methyl-2-nitroaniline

3-bromo-4-fluoro-6-methyl-2-nitroaniline

CAS No.:
1695495-70-5
Catalog Number:
AG01DYTS
Molecular Formula:
C7H6BrFN2O2
Molecular Weight:
249.0371
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Product Description
Catalog Number:
AG01DYTS
Chemical Name:
3-bromo-4-fluoro-6-methyl-2-nitroaniline
CAS Number:
1695495-70-5
Molecular Formula:
C7H6BrFN2O2
Molecular Weight:
249.0371
MDL Number:
MFCD31617649
IUPAC Name:
3-bromo-4-fluoro-6-methyl-2-nitroaniline
InChI:
InChI=1S/C7H6BrFN2O2/c1-3-2-4(9)5(8)7(6(3)10)11(12)13/h2H,10H2,1H3
InChI Key:
JKQWGMJSCOMKPS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)c(C)cc(c1Br)F
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.96g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.039g/mol
Monoisotopic Mass:
247.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties