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81153-64-2 | Ethyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate
CAS No: 81153-64-2 Catalog No: AG003AXM MDL No:MFCD00221427
Product Description
Catalog Number:
AG003AXM
Chemical Name:
Ethyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate
CAS Number:
81153-64-2
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD00221427
IUPAC Name:
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
InChI:
InChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-10(2)15(14-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChI Key:
YBPIMHCENGHGMJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)C)c1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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