Home Halogens Methyl 5-bromo-2-methyl-3-nitrobenzoate

Methyl 5-bromo-2-methyl-3-nitrobenzoate

CAS No.:
220514-28-3
Catalog Number:
AG003MHN
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$15
- +
5g
96%
In Stock USA
United States
$50
- +
10g
96%
In Stock USA
United States
$75
- +
25g
96%
In Stock USA
United States
$150
- +
100g
96%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003MHN
Chemical Name:
Methyl 5-bromo-2-methyl-3-nitrobenzoate
CAS Number:
220514-28-3
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
MDL Number:
MFCD07781280
IUPAC Name:
methyl 5-bromo-2-methyl-3-nitrobenzoate
InChI:
InChI=1S/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,1-2H3
InChI Key:
UPBDNPCJIJAMPI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1C)[N+](=O)[O-]
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties