Home Halogens Ethyl 4-amino-3-bromo-5-nitrobenzoate

Ethyl 4-amino-3-bromo-5-nitrobenzoate

CAS No.:
82760-42-7
Catalog Number:
AG004TQY
Molecular Formula:
C9H9BrN2O4
Molecular Weight:
289.0828
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$119
- +
5g
97%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG004TQY
Chemical Name:
Ethyl 4-amino-3-bromo-5-nitrobenzoate
CAS Number:
82760-42-7
Molecular Formula:
C9H9BrN2O4
Molecular Weight:
289.0828
MDL Number:
MFCD00044014
IUPAC Name:
ethyl 4-amino-3-bromo-5-nitrobenzoate
InChI:
InChI=1S/C9H9BrN2O4/c1-2-16-9(13)5-3-6(10)8(11)7(4-5)12(14)15/h3-4H,2,11H2,1H3
InChI Key:
QANVLXVFIRTXFG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N
EC Number:
280-022-7
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:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties