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Methyl 3-phenyl-1H-pyrazole-5-carboxylate

CAS No.:
56426-35-8
Catalog Number:
AG00EB3D
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$32
- +
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$119
- +
10g
98%
In Stock USA
United States
$200
- +
25g
98%
In Stock USA
United States
$369
- +
100g
98%
In Stock USA
United States
$1063
- +
Product Description
Catalog Number:
AG00EB3D
Chemical Name:
Methyl 3-phenyl-1H-pyrazole-5-carboxylate
CAS Number:
56426-35-8
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD00781977
IUPAC Name:
methyl 3-phenyl-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C11H10N2O2/c1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChI Key:
ROXAFVODFXYSFO-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c(c1)c1ccccc1
Properties
Complexity:
227  
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:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
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