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85175-59-3 | 3-(3-Chloropropyl);-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
CAS No: 85175-59-3 Catalog No: AG004QOD MDL No:MFCD09955404
Product Description
Catalog Number:
AG004QOD
Chemical Name:
3-(3-Chloropropyl);-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
CAS Number:
85175-59-3
Molecular Formula:
C15H18ClNO3
Molecular Weight:
295.7613
MDL Number:
MFCD09955404
IUPAC Name:
3-(3-chloropropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
InChI:
InChI=1S/C15H18ClNO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h4,7-9H,3,5-6,10H2,1-2H3
InChI Key:
ODEZTTCXWTUAJT-UHFFFAOYSA-N
SMILES:
ClCCCN1C=Cc2c(CC1=O)cc(c(c2)OC)OC
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.763g/mol
Monoisotopic Mass:
295.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| 3-(3-Chloro-prop-yl)-7,8-dimeth-oxy-1H-3-benzazepin-2(3H)-one at 125 K. | Acta crystallographica. Section E, Structure reports online 20080501 |
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