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89623-56-3 | 1H-2-Benzazepin-1-one, 6-(3-chloropropoxy)-2,3,4,5-tetrahydro-
CAS No: 89623-56-3 Catalog No: AG003X8Q MDL No:
Product Description
Catalog Number:
AG003X8Q
Chemical Name:
1H-2-Benzazepin-1-one, 6-(3-chloropropoxy)-2,3,4,5-tetrahydro-
CAS Number:
89623-56-3
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
IUPAC Name:
6-(3-chloropropoxy)-2,3,4,5-tetrahydro-2-benzazepin-1-one
InChI:
InChI=1S/C13H16ClNO2/c14-7-3-9-17-12-6-1-4-11-10(12)5-2-8-15-13(11)16/h1,4,6H,2-3,5,7-9H2,(H,15,16)
InChI Key:
SNTDDTDXTAVTKY-UHFFFAOYSA-N
SMILES:
ClCCCOc1cccc2c1CCCNC2=O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.726g/mol
Monoisotopic Mass:
253.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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