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117381-06-3 | 1,3-Dioxepin, 2-(bromomethyl)-4,7-dihydro-
CAS No: 117381-06-3 Catalog No: AG000E71 MDL No:MFCD08706438
Product Description
Catalog Number:
AG000E71
Chemical Name:
1,3-Dioxepin, 2-(bromomethyl)-4,7-dihydro-
CAS Number:
117381-06-3
Molecular Formula:
C6H9BrO2
Molecular Weight:
193.0385
MDL Number:
MFCD08706438
IUPAC Name:
2-(bromomethyl)-4,7-dihydro-1,3-dioxepine
InChI:
InChI=1S/C6H9BrO2/c7-5-6-8-3-1-2-4-9-6/h1-2,6H,3-5H2
InChI Key:
AVEOEJODJLWEAJ-UHFFFAOYSA-N
SMILES:
BrCC1OCC=CCO1
Properties
Complexity:
93.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.979g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.04g/mol
Monoisotopic Mass:
191.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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