3-(bromomethyl)oxane


Chemical Name: 3-(bromomethyl)oxane
CAS Number: 116131-44-3
Product Number: AG000BPM(AGN-PC-03RAYU)
Synonyms:
MDL No:
Molecular Formula: C6H11BrO
Molecular Weight: 179.0549

Identification/Properties


Computed Properties
Molecular Weight:
179.057g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
177.999g/mol
Monoisotopic Mass:
177.999g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
65.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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