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

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

CAS No.:
1222174-93-7
Catalog Number:
AG0016XQ
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$337
- +
1g
97%
1 week
United States
$785
- +
Product Description
Catalog Number:
AG0016XQ
Chemical Name:
5-Bromo-1-methyl-1h-pyrazole-3-carboxylic acid
CAS Number:
1222174-93-7
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD22370661
IUPAC Name:
5-bromo-1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H5BrN2O2/c1-8-4(6)2-3(7-8)5(9)10/h2H,1H3,(H,9,10)
InChI Key:
QLYDIHRYOAQXJT-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1Br)C(=O)O
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