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288401-38-7 | Methanone, (4,5-dichloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)-
CAS No: 288401-38-7 Catalog No: AG002WS8 MDL No:
Product Description
Catalog Number:
AG002WS8
Chemical Name:
Methanone, (4,5-dichloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)-
CAS Number:
288401-38-7
Molecular Formula:
C16H10Cl2N2O2
Molecular Weight:
333.1688
IUPAC Name:
(4,5-dichloro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
InChI:
InChI=1S/C16H10Cl2N2O2/c17-13-6-12(15(21)7-14(13)18)16(22)10-8-19-20(9-10)11-4-2-1-3-5-11/h1-9,21H
InChI Key:
JGEAFQJKLOXJNG-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)c(cc1C(=O)c1cnn(c1)c1ccccc1)Cl
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.012g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.168g/mol
Monoisotopic Mass:
332.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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