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Home > Nitro Compounds > 97528-67-1
97528-67-1 | Piperidine, 1-[(5-nitrobenzo[b]thien-2-yl)carbonyl]-
CAS No: 97528-67-1 Catalog No: AG00H8CR MDL No:
Product Description
Catalog Number:
AG00H8CR
Chemical Name:
Piperidine, 1-[(5-nitrobenzo[b]thien-2-yl)carbonyl]-
CAS Number:
97528-67-1
Molecular Formula:
C14H14N2O3S
Molecular Weight:
290.3376
IUPAC Name:
(5-nitro-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C14H14N2O3S/c17-14(15-6-2-1-3-7-15)13-9-10-8-11(16(18)19)4-5-12(10)20-13/h4-5,8-9H,1-3,6-7H2
InChI Key:
PKKSUEDZEGWZIG-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(s1)ccc(c2)[N+](=O)[O-])N1CCCCC1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.337g/mol
Monoisotopic Mass:
290.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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