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29883-11-2 | 3-Chloro-1-dibenzo[b,f]azepin-5-yl-propan-1-one
CAS No: 29883-11-2 Catalog No: AG01F9XC MDL No:
Product Description
Catalog Number:
AG01F9XC
Chemical Name:
3-Chloro-1-dibenzo[b,f]azepin-5-yl-propan-1-one
CAS Number:
29883-11-2
Molecular Formula:
C17H14ClNO
Molecular Weight:
283.7522
IUPAC Name:
1-benzo[b][1]benzazepin-11-yl-3-chloropropan-1-one
InChI:
InChI=1S/C17H14ClNO/c18-12-11-17(20)19-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)19/h1-10H,11-12H2
InChI Key:
JZNQVXSSQUEJEP-UHFFFAOYSA-N
SMILES:
ClCCC(=O)N1c2ccccc2C=Cc2c1cccc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.076g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.755g/mol
Monoisotopic Mass:
283.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Synthesis and antioxidant properties of some novel 5H-dibenz[b,f]azepine derivatives in different in vitro model systems. | European journal of medicinal chemistry 20100101 |
| 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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