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Home > Bromides > 1849266-44-9
1849266-44-9 | 6-(bromomethyl)-1,4-dioxepane
CAS No: 1849266-44-9 Catalog No: AG01EHQ1 MDL No:MFCD22394049
Product Description
Catalog Number:
AG01EHQ1
Chemical Name:
6-(bromomethyl)-1,4-dioxepane
CAS Number:
1849266-44-9
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
MDL Number:
MFCD22394049
IUPAC Name:
6-(bromomethyl)-1,4-dioxepane
InChI:
InChI=1S/C6H11BrO2/c7-3-6-4-8-1-2-9-5-6/h6H,1-5H2
InChI Key:
QDNVTANHVRZPPN-UHFFFAOYSA-N
SMILES:
BrCC1COCCOC1
Properties
Complexity:
69.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.994g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.056g/mol
Monoisotopic Mass:
193.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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