Home Halogens Methyl 3-bromo-4-(methylamino)-5-nitrobenzoate

Methyl 3-bromo-4-(methylamino)-5-nitrobenzoate

CAS No.:
1219123-06-4
Catalog Number:
AG009X82
Molecular Formula:
C9H9BrN2O4
Molecular Weight:
289.0828
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG009X82
Chemical Name:
Methyl 3-bromo-4-(methylamino)-5-nitrobenzoate
CAS Number:
1219123-06-4
Molecular Formula:
C9H9BrN2O4
Molecular Weight:
289.0828
MDL Number:
MFCD22689130
IUPAC Name:
methyl 3-bromo-4-(methylamino)-5-nitrobenzoate
InChI:
InChI=1S/C9H9BrN2O4/c1-11-8-6(10)3-5(9(13)16-2)4-7(8)12(14)15/h3-4,11H,1-2H3
InChI Key:
FOTHLHQXZIDLEF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])NC
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.975g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.085g/mol
Monoisotopic Mass:
287.975g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties