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1469-28-9 | Dibenzo[b,f]thiepin-10(11H)-one, 8-chloro-
CAS No: 1469-28-9 Catalog No: AG001EFO MDL No:
Product Description
Catalog Number:
AG001EFO
Chemical Name:
Dibenzo[b,f]thiepin-10(11H)-one, 8-chloro-
CAS Number:
1469-28-9
Molecular Formula:
C14H9ClOS
Molecular Weight:
260.7387
IUPAC Name:
3-chloro-6H-benzo[b][1]benzothiepin-5-one
InChI:
InChI=1S/C14H9ClOS/c15-10-5-6-14-11(8-10)12(16)7-9-3-1-2-4-13(9)17-14/h1-6,8H,7H2
InChI Key:
RFEQOXYRLRIDPF-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)Cc1c(S2)cccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.006g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.735g/mol
Monoisotopic Mass:
260.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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