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306934-90-7 | 2H-1,5-Benzodioxepin, 3,4-dihydro-7-iodo-
CAS No: 306934-90-7 Catalog No: AG0030U9 MDL No:MFCD02677706
Product Description
Catalog Number:
AG0030U9
Chemical Name:
2H-1,5-Benzodioxepin, 3,4-dihydro-7-iodo-
CAS Number:
306934-90-7
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
MDL Number:
MFCD02677706
IUPAC Name:
7-iodo-3,4-dihydro-2H-1,5-benzodioxepine
InChI:
InChI=1S/C9H9IO2/c10-7-2-3-8-9(6-7)12-5-1-4-11-8/h2-3,6H,1,4-5H2
InChI Key:
CIZHAPZOOAJDCN-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)OCCCO2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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