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786-97-0 | 7-chloro-2-pyridin-3-yl-tetralin-1-one
CAS No: 786-97-0 Catalog No: AG005JWT MDL No:
Product Description
Catalog Number:
AG005JWT
Chemical Name:
7-chloro-2-pyridin-3-yl-tetralin-1-one
CAS Number:
786-97-0
Molecular Formula:
C15H12ClNO
Molecular Weight:
257.7149
IUPAC Name:
7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C15H12ClNO/c16-12-5-3-10-4-6-13(15(18)14(10)8-12)11-2-1-7-17-9-11/h1-3,5,7-9,13H,4,6H2
InChI Key:
RCBZARSYIFQZOX-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)C(CC2)c1cccnc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.717g/mol
Monoisotopic Mass:
257.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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