[3-(bromomethyl)-1-(4-methylphenyl)sulfonylazetidin-3-yl]methanol


Chemical Name: [3-(bromomethyl)-1-(4-methylphenyl)sulfonylazetidin-3-yl]methanol
CAS Number: 1041026-55-4
Product Number: AG0084X0(AGN-PC-0BGIEN)
Synonyms:
MDL No:
Molecular Formula: C12H16BrNO3S
Molecular Weight: 334.2293

Identification/Properties


Computed Properties
Molecular Weight:
334.228g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
333.003g/mol
Monoisotopic Mass:
333.003g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
379
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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:
Danger
UN#:
2811
Hazard Statements:
H301-H319
Precautionary Statements:
P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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