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Methyl 5-t-butyl-1-phenyl-1H-pyrazole-4-carboxylate

CAS No.:
1150164-50-3
Catalog Number:
AG000FOS
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG000FOS
Chemical Name:
Methyl 5-t-butyl-1-phenyl-1H-pyrazole-4-carboxylate
CAS Number:
1150164-50-3
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
MDL Number:
MFCD12026019
IUPAC Name:
methyl 5-tert-butyl-1-phenylpyrazole-4-carboxylate
InChI:
InChI=1S/C15H18N2O2/c1-15(2,3)13-12(14(18)19-4)10-16-17(13)11-8-6-5-7-9-11/h5-10H,1-4H3
InChI Key:
GHVOXYXDHFHPKX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnn(c1C(C)(C)C)c1ccccc1
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties