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126099-96-5 | 1H-Pyrazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(1-methylethyl)-, ethyl ester
CAS No: 126099-96-5 Catalog No: AG000RMV MDL No:
Product Description
Catalog Number:
AG000RMV
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(1-methylethyl)-, ethyl ester
CAS Number:
126099-96-5
Molecular Formula:
C15H16Cl2N2O2
Molecular Weight:
327.2057
IUPAC Name:
ethyl 1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazole-3-carboxylate
InChI:
InChI=1S/C15H16Cl2N2O2/c1-4-21-15(20)12-8-14(9(2)3)19(18-12)13-6-5-10(16)7-11(13)17/h5-9H,4H2,1-3H3
InChI Key:
XQTFGOSTLPHBRA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)C(C)C)c1ccc(cc1Cl)Cl
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.205g/mol
Monoisotopic Mass:
326.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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