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87227-41-6 | 2-(4-Bromobutyl)-1,3-dioxolane
CAS No: 87227-41-6 Catalog No: AG004RPF MDL No:MFCD02093454
Product Description
Catalog Number:
AG004RPF
Chemical Name:
2-(4-Bromobutyl)-1,3-dioxolane
CAS Number:
87227-41-6
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
MDL Number:
MFCD02093454
IUPAC Name:
2-(4-bromobutyl)-1,3-dioxolane
InChI:
InChI=1S/C7H13BrO2/c8-4-2-1-3-7-9-5-6-10-7/h7H,1-6H2
InChI Key:
UQTZEBQZCBQLAN-UHFFFAOYSA-N
SMILES:
BrCCCCC1OCCO1
Properties
Complexity:
81.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.083g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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