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1017781-18-8 | 1H-Pyrazol-5-amine, 1-(2,4-dichlorophenyl)-3-(1,1-dimethylethyl)-
CAS No: 1017781-18-8 Catalog No: AG0005H5 MDL No:MFCD04115080
Product Description
Catalog Number:
AG0005H5
Chemical Name:
1H-Pyrazol-5-amine, 1-(2,4-dichlorophenyl)-3-(1,1-dimethylethyl)-
CAS Number:
1017781-18-8
Molecular Formula:
C13H15Cl2N3
Molecular Weight:
284.1843
MDL Number:
MFCD04115080
IUPAC Name:
5-tert-butyl-2-(2,4-dichlorophenyl)pyrazol-3-amine
InChI:
InChI=1S/C13H15Cl2N3/c1-13(2,3)11-7-12(16)18(17-11)10-5-4-8(14)6-9(10)15/h4-7H,16H2,1-3H3
InChI Key:
WRYXOQGHXKAAKN-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)n1nc(cc1N)C(C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.184g/mol
Monoisotopic Mass:
283.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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