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126571-62-8 | 1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-5-(4-methoxyphenyl)-
CAS No: 126571-62-8 Catalog No: AG000SY2 MDL No:
Product Description
Catalog Number:
AG000SY2
Chemical Name:
1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-5-(4-methoxyphenyl)-
CAS Number:
126571-62-8
Molecular Formula:
C16H15ClN2O
Molecular Weight:
286.7561
IUPAC Name:
3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
InChI:
InChI=1S/C16H15ClN2O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-9,16,19H,10H2,1H3
InChI Key:
DUXAGCAMQLDOAN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1NN=C(C1)c1ccc(cc1)Cl
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.759g/mol
Monoisotopic Mass:
286.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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