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57744-67-9 | 6-Iodo-2,3-dihydrobenzo[b][1,4]dioxine
CAS No: 57744-67-9 Catalog No: AG003N8X MDL No:MFCD00221460
Product Description
Catalog Number:
AG003N8X
Chemical Name:
6-Iodo-2,3-dihydrobenzo[b][1,4]dioxine
CAS Number:
57744-67-9
Molecular Formula:
C8H7IO2
Molecular Weight:
262.0444
MDL Number:
MFCD00221460
IUPAC Name:
6-iodo-2,3-dihydro-1,4-benzodioxine
InChI:
InChI=1S/C8H7IO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2
InChI Key:
HZTMYTXWFHBHDC-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)OCCO2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.046g/mol
Monoisotopic Mass:
261.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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