5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1h-pyrazole-3,4-dicarboxylic acid diethyl ester - CAS 1206970-22-0

Catalog:	BB069847
Product Name:	5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1h-pyrazole-3,4-dicarboxylic acid diethyl ester
CAS:	1206970-22-0
Synonyms:	5-(4-CHLORO-PHENYL)-1-(2,4-DICHLORO-PHENYL)-1H-PYRAZOLE-3,4-DICARBOXYLIC ACID DIETHYL ESTER; diethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-3,4-dicarboxylate; Diethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazole-3,4-dicarboxylate; 5-(4-Chloro-phenyl)-1-(2,4-dichloro; Diethyl5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazole-3,4-dicarboxylate

Technical Data

IUPAC Name:	diethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-3,4-dicarboxylate
Description:	5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1h-pyrazole-3,4-dicarboxylic acid diethyl ester
Molecular Weight:	467.73
Molecular Formula:	C21H17Cl3N2O4
Canonical SMILES:	CCOC(=O)C1=C(N(N=C1C(=O)OCC)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl
InChI:	InChI=1S/C21H17Cl3N2O4/c1-3-29-20(27)17-18(21(28)30-4-2)25-26(16-10-9-14(23)11-15(16)24)19(17)12-5-7-13(22)8-6-12/h5-11H,3-4H2,1-2H3
InChI Key:	ZDDCUCNANYIQII-UHFFFAOYSA-N

Complexity:	603
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	466.02539
Formal Charge:	0
Heavy Atom Count:	30
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	466.02539
Rotatable Bond Count:	8
Topological Polar Surface Area:	70.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.2