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Home Carboxys 4-Bromo-3-nitro-1H-pyrazole-5-carboxylic acid

4-Bromo-3-nitro-1H-pyrazole-5-carboxylic acid

CAS No.:
84547-93-3
Catalog Number:
AG00G2QY
Molecular Formula:
C4H2BrN3O4
Molecular Weight:
235.9804
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$69
- +
5g
98%
In Stock USA
United States
$219
- +
10g
98%
In Stock USA
United States
$369
- +
25g
98%
In Stock USA
United States
$669
- +
Product Description
Catalog Number:
AG00G2QY
Chemical Name:
4-Bromo-3-nitro-1H-pyrazole-5-carboxylic acid
CAS Number:
84547-93-3
Molecular Formula:
C4H2BrN3O4
Molecular Weight:
235.9804
MDL Number:
MFCD00464256
IUPAC Name:
4-bromo-5-nitro-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C4H2BrN3O4/c5-1-2(4(9)10)6-7-3(1)8(11)12/h(H,6,7)(H,9,10)
InChI Key:
AYVPVIOGABUWIE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]nc(c1Br)C(=O)O
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.923g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.981g/mol
Monoisotopic Mass:
234.923g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties