Home Carboxys 5-Methyl-1-phenylpyrazole-3-carboxylic acid

5-Methyl-1-phenylpyrazole-3-carboxylic acid

CAS No.:
10199-57-2
Catalog Number:
AG000670
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$200
- +
5g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG000670
Chemical Name:
5-Methyl-1-phenylpyrazole-3-carboxylic acid
CAS Number:
10199-57-2
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD00124910
IUPAC Name:
5-methyl-1-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O2/c1-8-7-10(11(14)15)12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChI Key:
JAUNWUAOFPNAKK-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1)C)c1ccccc1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties