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1094350-52-3 | 7-iodo-2,3,4,5-tetrahydro-1-benzoxepin-5-one
CAS No: 1094350-52-3 Catalog No: AG019XF0 MDL No:MFCD11207531
Product Description
Catalog Number:
AG019XF0
Chemical Name:
7-iodo-2,3,4,5-tetrahydro-1-benzoxepin-5-one
CAS Number:
1094350-52-3
Molecular Formula:
C10H9IO2
Molecular Weight:
288.0817
MDL Number:
MFCD11207531
IUPAC Name:
7-iodo-3,4-dihydro-2H-1-benzoxepin-5-one
InChI:
InChI=1S/C10H9IO2/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6H,1-2,5H2
InChI Key:
LTPGNYMQIMPGIX-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)C(=O)CCCO2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.084g/mol
Monoisotopic Mass:
287.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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