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101650-18-4 | 1,3-Dioxolane, 2-(3-bromopropyl)-2-propyl-
CAS No: 101650-18-4 Catalog No: AG00051D MDL No:
Product Description
Catalog Number:
AG00051D
Chemical Name:
1,3-Dioxolane, 2-(3-bromopropyl)-2-propyl-
CAS Number:
101650-18-4
Molecular Formula:
C9H17BrO2
Molecular Weight:
237.1341
IUPAC Name:
2-(2-bromoethyl)-3-propyl-1,4-dioxane
InChI:
InChI=1S/C9H17BrO2/c1-2-3-8-9(4-5-10)12-7-6-11-8/h8-9H,2-7H2,1H3
InChI Key:
MDEKVJJRUARQTG-UHFFFAOYSA-N
SMILES:
CCCC1(CCCBr)OCCO1
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.137g/mol
Monoisotopic Mass:
236.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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