Home Carboxys 1-(4-Fluorobenzyl)-3-methyl-1h-pyrazole-5-carboxylic acid

1-(4-Fluorobenzyl)-3-methyl-1h-pyrazole-5-carboxylic acid

CAS No.:
618070-43-2
Catalog Number:
AG00EFUB
Molecular Formula:
C12H11FN2O2
Molecular Weight:
234.2263
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 97% (HPLC)
1 week
United States
$82
- +
1g
≥ 97% (HPLC)
1 week
United States
$126
- +
5g
≥ 97% (HPLC)
1 week
United States
$447
- +
25g
≥ 97% (HPLC)
1 week
United States
$2012
- +
Product Description
Catalog Number:
AG00EFUB
Chemical Name:
1-(4-Fluorobenzyl)-3-methyl-1h-pyrazole-5-carboxylic acid
CAS Number:
618070-43-2
Molecular Formula:
C12H11FN2O2
Molecular Weight:
234.2263
MDL Number:
MFCD03933282
IUPAC Name:
2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H11FN2O2/c1-8-6-11(12(16)17)15(14-8)7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,16,17)
InChI Key:
LCNKEPNSKFFGPO-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Cn1nc(cc1C(=O)O)C
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.08g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.23g/mol
Monoisotopic Mass:
234.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties