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Home Carboxys 4-Bromo-2-methylpyrazole-3-carboxylic acid

4-Bromo-2-methylpyrazole-3-carboxylic acid

CAS No.:
84547-84-2
Catalog Number:
AG008HN4
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$42
- +
5g
95%
In Stock USA
United States
$166
- +
10g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$597
- +
Product Description
Catalog Number:
AG008HN4
Chemical Name:
4-Bromo-2-methylpyrazole-3-carboxylic acid
CAS Number:
84547-84-2
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD00463982
IUPAC Name:
4-bromo-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H5BrN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10)
InChI Key:
YXIJCAVZGBGUKM-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1C(=O)O)Br
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.953g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.011g/mol
Monoisotopic Mass:
203.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties