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Home > Nitro Compounds > 96446-86-5
96446-86-5 | Morpholine, 4-[(5-nitrobenzo[b]thien-2-yl)carbonyl]-
CAS No: 96446-86-5 Catalog No: AG005TZB MDL No:MFCD02082941
Product Description
Catalog Number:
AG005TZB
Chemical Name:
Morpholine, 4-[(5-nitrobenzo[b]thien-2-yl)carbonyl]-
CAS Number:
96446-86-5
Molecular Formula:
C13H12N2O4S
Molecular Weight:
292.3104
MDL Number:
MFCD02082941
IUPAC Name:
morpholin-4-yl-(5-nitro-1-benzothiophen-2-yl)methanone
InChI:
InChI=1S/C13H12N2O4S/c16-13(14-3-5-19-6-4-14)12-8-9-7-10(15(17)18)1-2-11(9)20-12/h1-2,7-8H,3-6H2
InChI Key:
BKIUKKCYXXNBIP-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(s1)ccc(c2)[N+](=O)[O-])N1CCOCC1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.309g/mol
Monoisotopic Mass:
292.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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