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Home > Bromides > 2137033-85-1
2137033-85-1 | rac-(1r,4r)-4-(bromomethyl)-1-methyl-2-oxabicyclo[2.2.2]octane, trans
CAS No: 2137033-85-1 Catalog No: AG01EM11 MDL No:MFCD31628954
Product Description
Catalog Number:
AG01EM11
Chemical Name:
rac-(1r,4r)-4-(bromomethyl)-1-methyl-2-oxabicyclo[2.2.2]octane, trans
CAS Number:
2137033-85-1
Molecular Formula:
C9H15BrO
Molecular Weight:
219.1188
MDL Number:
MFCD31628954
IUPAC Name:
4-(bromomethyl)-1-methyl-2-oxabicyclo[2.2.2]octane
InChI:
InChI=1S/C9H15BrO/c1-8-2-4-9(6-10,5-3-8)7-11-8/h2-7H2,1H3
InChI Key:
PFSQHMBTVBRYOJ-UHFFFAOYSA-N
SMILES:
BrC[C@]12CC[C@](CC1)(OC2)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.122g/mol
Monoisotopic Mass:
218.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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