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651735-61-4 | 8-Iodo-1-tetralone
CAS No: 651735-61-4 Catalog No: AG00EAXP MDL No:MFCD09751534
Product Description
Catalog Number:
AG00EAXP
Chemical Name:
8-Iodo-1-tetralone
CAS Number:
651735-61-4
Molecular Formula:
C10H9IO
Molecular Weight:
272.0823
MDL Number:
MFCD09751534
IUPAC Name:
8-iodo-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C10H9IO/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,5H,2,4,6H2
InChI Key:
NNLDWWGXUOHAJW-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1c(I)ccc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.085g/mol
Monoisotopic Mass:
271.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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