Home Nitros 4-Bromo-2-nitrobenzoic acid

4-Bromo-2-nitrobenzoic acid

CAS No.:
99277-71-1
Catalog Number:
AG003KXF
Molecular Formula:
C7H4BrNO4
Molecular Weight:
246.0150
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$31
- +
25g
97%
In Stock USA
United States
$88
- +
100g
97%
In Stock USA
United States
$225
- +
500g
97%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG003KXF
Chemical Name:
4-Bromo-2-nitrobenzoic acid
CAS Number:
99277-71-1
Molecular Formula:
C7H4BrNO4
Molecular Weight:
246.0150
MDL Number:
MFCD01013599
IUPAC Name:
4-bromo-2-nitrobenzoic acid
InChI:
InChI=1S/C7H4BrNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)
InChI Key:
ZIRHHEZLJGORGU-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.932g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.016g/mol
Monoisotopic Mass:
244.932g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
5-(4-Bromo-2-nitro-phen-yl)-1,3,4-thia-diazol-2-amine. Acta crystallographica. Section E, Structure reports online 20110901
Properties