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1310699-69-4 | 2H-1-Benzazepin-2-one, 9-chloro-1,3,4,5-tetrahydro-
CAS No: 1310699-69-4 Catalog No: AG000VH1 MDL No:
Product Description
Catalog Number:
AG000VH1
Chemical Name:
2H-1-Benzazepin-2-one, 9-chloro-1,3,4,5-tetrahydro-
CAS Number:
1310699-69-4
Molecular Formula:
C10H10ClNO
Molecular Weight:
195.6455
IUPAC Name:
9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one
InChI:
InChI=1S/C10H10ClNO/c11-8-5-1-3-7-4-2-6-9(13)12-10(7)8/h1,3,5H,2,4,6H2,(H,12,13)
InChI Key:
LEEMHEZPFCBIFY-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c(N1)c(Cl)ccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.646g/mol
Monoisotopic Mass:
195.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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