Home Sulfos 1H-1,2,3-Benzotriazol-1-ylmethyl 4-methylbenzene-1-sulfonate

1H-1,2,3-Benzotriazol-1-ylmethyl 4-methylbenzene-1-sulfonate

CAS No.:
302931-53-9
Catalog Number:
AG01EUS1
Molecular Formula:
C14H13N3O3S
Molecular Weight:
303.3363
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
96%
1 week
United States
$274
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Product Description
Catalog Number:
AG01EUS1
Chemical Name:
1H-1,2,3-Benzotriazol-1-ylmethyl 4-methylbenzene-1-sulfonate
CAS Number:
302931-53-9
Molecular Formula:
C14H13N3O3S
Molecular Weight:
303.3363
MDL Number:
MFCD00968210
IUPAC Name:
benzotriazol-1-ylmethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C14H13N3O3S/c1-11-6-8-12(9-7-11)21(18,19)20-10-17-14-5-3-2-4-13(14)15-16-17/h2-9H,10H2,1H3
InChI Key:
TXAKGWKXWSXBOD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCn1nnc2c1cccc2
Properties
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.068g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.336g/mol
Monoisotopic Mass:
303.068g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties