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340825-13-0 | 6-Iodo-1-tetralone
CAS No: 340825-13-0 Catalog No: AG00C05C MDL No:MFCD09751536
Product Description
Catalog Number:
AG00C05C
Chemical Name:
6-Iodo-1-tetralone
CAS Number:
340825-13-0
Molecular Formula:
C10H9IO
Molecular Weight:
272.0823
MDL Number:
MFCD09751536
IUPAC Name:
6-iodo-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C10H9IO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2
InChI Key:
TUMAMZXVZVEYLU-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)CCCC2=O
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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