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1260017-53-5 | "6,8-dichloro-1,2,3,4-tetrahydronaphthalen-1-one"
CAS No: 1260017-53-5 Catalog No: AG01FMS6 MDL No:MFCD18208420
Product Description
Catalog Number:
AG01FMS6
Chemical Name:
"6,8-dichloro-1,2,3,4-tetrahydronaphthalen-1-one"
CAS Number:
1260017-53-5
Molecular Formula:
C10H8Cl2O
Molecular Weight:
215.0759
MDL Number:
MFCD18208420
IUPAC Name:
6,8-dichloro-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C10H8Cl2O/c11-7-4-6-2-1-3-9(13)10(6)8(12)5-7/h4-5H,1-3H2
InChI Key:
OLNPLNFAQDGFCK-UHFFFAOYSA-N
SMILES:
Clc1cc2CCCC(=O)c2c(c1)Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.073g/mol
Monoisotopic Mass:
213.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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