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Home Sulfos (3-(Bromomethyl)-1-(p-toluenesulfonyl)azetidin-3-yl)methanol

(3-(Bromomethyl)-1-(p-toluenesulfonyl)azetidin-3-yl)methanol

CAS No.:
1041026-55-4
Catalog Number:
AG0084X0
Molecular Formula:
C12H16BrNO3S
Molecular Weight:
334.2293
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$63
- +
1g
98%
In Stock USA
United States
$122
- +
5g
98%
In Stock USA
United States
$388
- +
Product Description
Catalog Number:
AG0084X0
Chemical Name:
(3-(Bromomethyl)-1-(p-toluenesulfonyl)azetidin-3-yl)methanol
CAS Number:
1041026-55-4
Molecular Formula:
C12H16BrNO3S
Molecular Weight:
334.2293
MDL Number:
MFCD18782897
IUPAC Name:
[3-(bromomethyl)-1-(4-methylphenyl)sulfonylazetidin-3-yl]methanol
InChI:
InChI=1S/C12H16BrNO3S/c1-10-2-4-11(5-3-10)18(16,17)14-7-12(6-13,8-14)9-15/h2-5,15H,6-9H2,1H3
InChI Key:
KQQMWQUXNMGDNO-UHFFFAOYSA-N
SMILES:
OCC1(CBr)CN(C1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.003g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
334.228g/mol
Monoisotopic Mass:
333.003g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
[3-Bromo-meth-yl-1-(4-methyl-phenyl-sulfon-yl)azetidin-3-yl]methanol. Acta crystallographica. Section E, Structure reports online 20111201
Properties