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150011-11-3 | 4-Pyrimidinamine, 5-chloro-6-(1-chloroethyl)-N-[(2,4-dichlorophenyl)methyl]-
CAS No: 150011-11-3 Catalog No: AG001M8G MDL No:MFCD00973936
Product Description
Catalog Number:
AG001M8G
Chemical Name:
4-Pyrimidinamine, 5-chloro-6-(1-chloroethyl)-N-[(2,4-dichlorophenyl)methyl]-
CAS Number:
150011-11-3
Molecular Formula:
C13H11Cl4N3
Molecular Weight:
351.0585
MDL Number:
MFCD00973936
IUPAC Name:
ethyl 5-amino-1-(4-methylphenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C13H15N3O2/c1-3-18-13(17)11-8-15-16(12(11)14)10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3
InChI Key:
HYLAFESEWXPMFD-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)CNc1ncnc(c1Cl)C(Cl)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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