Home Nitros 4-Bromo-5-methyl-2-nitrobenzoic acid

4-Bromo-5-methyl-2-nitrobenzoic acid

CAS No.:
1708958-91-1
Catalog Number:
AG00HZI8
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$175
- +
5g
98%
In Stock USA
United States
$569
- +
10g
98%
In Stock USA
United States
$994
- +
Product Description
Catalog Number:
AG00HZI8
Chemical Name:
4-Bromo-5-methyl-2-nitrobenzoic acid
CAS Number:
1708958-91-1
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
MDL Number:
MFCD28127184
IUPAC Name:
4-bromo-5-methyl-2-nitrobenzoic acid
InChI:
InChI=1S/C8H6BrNO4/c1-4-2-5(8(11)12)7(10(13)14)3-6(4)9/h2-3H,1H3,(H,11,12)
InChI Key:
WKLFXBXUSBBVQO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c(cc1[N+](=O)[O-])Br
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