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116815-03-3 | 5H-1-Benzazepin-5-one, 8-chloro-1,2,3,4-tetrahydro-
CAS No: 116815-03-3 Catalog No: AG000D9R MDL No:MFCD07776635
Product Description
Catalog Number:
AG000D9R
Chemical Name:
5H-1-Benzazepin-5-one, 8-chloro-1,2,3,4-tetrahydro-
CAS Number:
116815-03-3
Molecular Formula:
C10H10ClNO
Molecular Weight:
195.6455
MDL Number:
MFCD07776635
IUPAC Name:
8-chloro-1,2,3,4-tetrahydro-1-benzazepin-5-one
InChI:
InChI=1S/C10H10ClNO/c11-7-3-4-8-9(6-7)12-5-1-2-10(8)13/h3-4,6,12H,1-2,5H2
InChI Key:
VYAYCHCHFQVJHU-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)NCCCC2=O
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:
2
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:
2.4
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