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Home > Nitro Compounds > 88571-92-0
88571-92-0 | Thiazole, 4-(4-nitrophenyl)-2-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
CAS No: 88571-92-0 Catalog No: AG004DM3 MDL No:
Product Description
Catalog Number:
AG004DM3
Chemical Name:
Thiazole, 4-(4-nitrophenyl)-2-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
CAS Number:
88571-92-0
Molecular Formula:
C16H18N2O3S
Molecular Weight:
318.3907
IUPAC Name:
2-(2,2-dimethyloxan-4-yl)-4-(4-nitrophenyl)-1,3-thiazole
InChI:
InChI=1S/C16H18N2O3S/c1-16(2)9-12(7-8-21-16)15-17-14(10-22-15)11-3-5-13(6-4-11)18(19)20/h3-6,10,12H,7-9H2,1-2H3
InChI Key:
DQSMZCRNWAFLGI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1csc(n1)C1CCOC(C1)(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.391g/mol
Monoisotopic Mass:
318.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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