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828918-87-2 | 1H-Pyrazole-3-methanol, 5-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-
CAS No: 828918-87-2 Catalog No: AG004S8M MDL No:
Product Description
Catalog Number:
AG004S8M
Chemical Name:
1H-Pyrazole-3-methanol, 5-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-
CAS Number:
828918-87-2
Molecular Formula:
C18H16Cl2N2O2
Molecular Weight:
363.2378
IUPAC Name:
[5-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)pyrazol-3-yl]methanol
InChI:
InChI=1S/C18H16Cl2N2O2/c1-2-24-15-6-4-14(5-7-15)22-18(10-13(11-23)21-22)12-3-8-16(19)17(20)9-12/h3-10,23H,2,11H2,1H3
InChI Key:
QTUMXYLUJFTPGG-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)n1nc(cc1c1ccc(c(c1)Cl)Cl)CO
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.059g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.238g/mol
Monoisotopic Mass:
362.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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