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163009-07-2 | 1H-Pyrazole-4-ethanol, 1-(triphenylmethyl)-
CAS No: 163009-07-2 Catalog No: AG001TMM MDL No:
Product Description
Catalog Number:
AG001TMM
Chemical Name:
1H-Pyrazole-4-ethanol, 1-(triphenylmethyl)-
CAS Number:
163009-07-2
Molecular Formula:
C24H22N2O
Molecular Weight:
354.4443
IUPAC Name:
2-(1-tritylpyrazol-4-yl)ethanol
InChI:
InChI=1S/C24H22N2O/c27-17-16-20-18-25-26(19-20)24(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,18-19,27H,16-17H2
InChI Key:
JWZQLFZOICFRRX-UHFFFAOYSA-N
SMILES:
OCCc1cnn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.173g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.453g/mol
Monoisotopic Mass:
354.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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