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Home Halogens Methyl 3-(4-chlorophenyl)-1h-pyrazole-5-carboxylate

Methyl 3-(4-chlorophenyl)-1h-pyrazole-5-carboxylate

CAS No.:
79508-09-1
Catalog Number:
AG00ID1S
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$132
- +
5g
96%
In Stock USA
United States
$430
- +
10g
96%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG00ID1S
Chemical Name:
Methyl 3-(4-chlorophenyl)-1h-pyrazole-5-carboxylate
CAS Number:
79508-09-1
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
MDL Number:
MFCD07778088
IUPAC Name:
methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C11H9ClN2O2/c1-16-11(15)10-6-9(13-14-10)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
InChI Key:
CJTXOTLTFMCCSV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([nH]n1)c1ccc(cc1)Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.655g/mol
Monoisotopic Mass:
236.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
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