Home Nitros 4-Bromo-3-methyl-5-nitrobenzoic acid

4-Bromo-3-methyl-5-nitrobenzoic acid

CAS No.:
408533-82-4
Catalog Number:
AG00I80C
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$275
- +
5g
96%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG00I80C
Chemical Name:
4-Bromo-3-methyl-5-nitrobenzoic acid
CAS Number:
408533-82-4
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
MDL Number:
MFCD25963262
IUPAC Name:
4-bromo-3-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H6BrNO4/c1-4-2-5(8(11)12)3-6(7(4)9)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key:
WYNYRBQJISZOGZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Br)C)C(=O)O
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.948g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.043g/mol
Monoisotopic Mass:
258.948g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties