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Home > Nitro Compounds > 724740-57-2
724740-57-2 | 3-(2-hydroxyphenyl)-4-[1-(4-methylphenyl)-2-nitroethyl]-1H-pyrazol-5-ol
CAS No: 724740-57-2 Catalog No: AG01AANB MDL No:MFCD04154006
Product Description
Catalog Number:
AG01AANB
Chemical Name:
3-(2-hydroxyphenyl)-4-[1-(4-methylphenyl)-2-nitroethyl]-1H-pyrazol-5-ol
CAS Number:
724740-57-2
Molecular Formula:
C18H17N3O4
Molecular Weight:
339.3453
MDL Number:
MFCD04154006
IUPAC Name:
5-(2-hydroxyphenyl)-4-[1-(4-methylphenyl)-2-nitroethyl]-1,2-dihydropyrazol-3-one
InChI:
InChI=1S/C18H17N3O4/c1-11-6-8-12(9-7-11)14(10-21(24)25)16-17(19-20-18(16)23)13-4-2-3-5-15(13)22/h2-9,14,22H,10H2,1H3,(H2,19,20,23)
InChI Key:
OMJOHIRNKHTCMV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1c(O)[nH]nc1c1ccccc1O)c1ccc(cc1)C
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
339.351g/mol
Monoisotopic Mass:
339.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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