Home Other Building Blocks Methyl 3-(1H-pyrazol-3-yl)benzoate

Methyl 3-(1H-pyrazol-3-yl)benzoate

CAS No.:
168619-00-9
Catalog Number:
AG00AQJJ
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$113
- +
1g
98%
In Stock USA
United States
$263
- +
5g
98%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG00AQJJ
Chemical Name:
Methyl 3-(1H-pyrazol-3-yl)benzoate
CAS Number:
168619-00-9
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD19036053
IUPAC Name:
methyl 3-(1H-pyrazol-5-yl)benzoate
InChI:
InChI=1S/C11H10N2O2/c1-15-11(14)9-4-2-3-8(7-9)10-5-6-12-13-10/h2-7H,1H3,(H,12,13)
InChI Key:
ISBXXEWIFBAFNF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1cc[nH]n1
Properties
Complexity:
233  
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:
1.7  
Properties