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Home > Other Building Blocks > 1016-41-7
1016-41-7 | 1H-Pyrazole, 5-ethoxy-3-methyl-1-phenyl-
CAS No: 1016-41-7 Catalog No: AG0004Y7 MDL No:MFCD00455777
Product Description
Catalog Number:
AG0004Y7
Chemical Name:
1H-Pyrazole, 5-ethoxy-3-methyl-1-phenyl-
CAS Number:
1016-41-7
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD00455777
IUPAC Name:
5-ethoxy-3-methyl-1-phenylpyrazole
InChI:
InChI=1S/C12H14N2O/c1-3-15-12-9-10(2)13-14(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChI Key:
HIXKUHSBZQQDHA-UHFFFAOYSA-N
SMILES:
CCOc1cc(nn1c1ccccc1)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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