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192816-24-3 | Ethanone, 2-chloro-1-[4,5-dihydro-2-(methylthio)-1H-1-benzazepin-1-yl]-
CAS No: 192816-24-3 Catalog No: AG002GD3 MDL No:
Product Description
Catalog Number:
AG002GD3
Chemical Name:
Ethanone, 2-chloro-1-[4,5-dihydro-2-(methylthio)-1H-1-benzazepin-1-yl]-
CAS Number:
192816-24-3
Molecular Formula:
C13H14ClNOS
Molecular Weight:
267.7744
IUPAC Name:
2-chloro-1-(2-methylsulfanyl-4,5-dihydro-1-benzazepin-1-yl)ethanone
InChI:
InChI=1S/C13H14ClNOS/c1-17-13-8-4-6-10-5-2-3-7-11(10)15(13)12(16)9-14/h2-3,5,7-8H,4,6,9H2,1H3
InChI Key:
YIONKJNZWMOBFS-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1C(=CCCc2c1cccc2)SC
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.771g/mol
Monoisotopic Mass:
267.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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