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26563-78-0 | 1,3-Dioxolane, 2-(bromomethyl)-4-methyl-, cis- (8CI,9CI)
CAS No: 26563-78-0 Catalog No: AG002TQ0 MDL No:
Product Description
Catalog Number:
AG002TQ0
Chemical Name:
1,3-Dioxolane, 2-(bromomethyl)-4-methyl-, cis- (8CI,9CI)
CAS Number:
26563-78-0
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
IUPAC Name:
2-(bromomethyl)-4-methyl-1,3-dioxolane
InChI:
InChI=1S/C5H9BrO2/c1-4-3-7-5(2-6)8-4/h4-5H,2-3H2,1H3
InChI Key:
DUQGHFJLJLUFMA-UHFFFAOYSA-N
SMILES:
BrC[C@@H]1OC[C@@H](O1)C
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.979g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.029g/mol
Monoisotopic Mass:
179.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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