Home Carboxys 3-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid

3-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid

CAS No.:
173841-05-9
Catalog Number:
AG01A1TB
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$819
- +
Product Description
Catalog Number:
AG01A1TB
Chemical Name:
3-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
CAS Number:
173841-05-9
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD22395741
IUPAC Name:
5-bromo-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H5BrN2O2/c1-8-3(5(9)10)2-4(6)7-8/h2H,1H3,(H,9,10)
InChI Key:
LOXQQUJUBRXMHJ-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C(=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:
1.1  
Properties