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338757-78-1 | 1-(2,4-dichlorophenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-5-one
CAS No: 338757-78-1 Catalog No: AG00IUB5 MDL No:MFCD00665193
Product Description
Catalog Number:
AG00IUB5
Chemical Name:
1-(2,4-dichlorophenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-5-one
CAS Number:
338757-78-1
Molecular Formula:
C14H9Cl2N3O
Molecular Weight:
306.1468
MDL Number:
MFCD00665193
IUPAC Name:
2-(2,4-dichlorophenyl)-5-pyridin-3-yl-4H-pyrazol-3-one
InChI:
InChI=1S/C14H9Cl2N3O/c15-10-3-4-13(11(16)6-10)19-14(20)7-12(18-19)9-2-1-5-17-8-9/h1-6,8H,7H2
InChI Key:
GZIBEOWLEWTUAY-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)N1N=C(CC1=O)c1cccnc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.012g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.146g/mol
Monoisotopic Mass:
305.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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