Name: Name:rac-(1r,4r)-4-(bromomethyl)-1-methyl-2-oxabicyclo[2.2.2]octane, trans
Brand: Angene
SKU: AG01EM11
Rating: 90 (10 reviews)

rac-(1r,4r)-4-(bromomethyl)-1-methyl-2-oxabicyclo[2.2.2]octane, trans

CAS No.:

2137033-85-1

Catalog Number:

AG01EM11

Molecular Formula:

C9H15BrO

Molecular Weight:

219.1188

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

Complexity:

159

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.122g/mol

Monoisotopic Mass:

218.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

9.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2