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

3-Bromo-4-methoxy-5-nitrobenzoic acid

CAS No.:
954815-08-8
Catalog Number:
AG006080
Molecular Formula:
C8H6BrNO5
Molecular Weight:
276.0409
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$135
- +
5g
95%
In Stock USA
United States
$425
- +
10g
95%
In Stock USA
United States
$713
- +
Product Description
Catalog Number:
AG006080
Chemical Name:
3-Bromo-4-methoxy-5-nitrobenzoic acid
CAS Number:
954815-08-8
Molecular Formula:
C8H6BrNO5
Molecular Weight:
276.0409
MDL Number:
MFCD09881755
IUPAC Name:
3-bromo-4-methoxy-5-nitrobenzoic acid
InChI:
InChI=1S/C8H6BrNO5/c1-15-7-5(9)2-4(8(11)12)3-6(7)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key:
WYCKROZPOJCKCA-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.943g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.042g/mol
Monoisotopic Mass:
274.943g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties