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121693-25-2 | 2H-Pyran, 3-bromotetrahydro-2-[(2-methyl-2-propen-1-yl)oxy]-
CAS No: 121693-25-2 Catalog No: AG0015KL MDL No:
Product Description
Catalog Number:
AG0015KL
Chemical Name:
2H-Pyran, 3-bromotetrahydro-2-[(2-methyl-2-propen-1-yl)oxy]-
CAS Number:
121693-25-2
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
IUPAC Name:
3-bromo-2-(2-methylprop-2-enoxy)oxane
InChI:
InChI=1S/C9H15BrO2/c1-7(2)6-12-9-8(10)4-3-5-11-9/h8-9H,1,3-6H2,2H3
InChI Key:
MDQHXQDBKAAITA-UHFFFAOYSA-N
SMILES:
CC(=C)COC1OCCCC1Br
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.121g/mol
Monoisotopic Mass:
234.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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