Home Sulfos 1-[(4-Methylbenzenesulfonyl)methyl]-1H-1,2,3-benzotriazole

1-[(4-Methylbenzenesulfonyl)methyl]-1H-1,2,3-benzotriazole

CAS No.:
184297-69-6
Catalog Number:
AG01EUFG
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%
1 week
United States
$239
- +
250mg
98%
1 week
United States
$1913
- +
Product Description
Catalog Number:
AG01EUFG
Chemical Name:
1-[(4-Methylbenzenesulfonyl)methyl]-1H-1,2,3-benzotriazole
CAS Number:
184297-69-6
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
MDL Number:
MFCD00963361
IUPAC Name:
1-[(4-methylphenyl)sulfonylmethyl]benzotriazole
InChI:
InChI=1S/C14H13N3O2S/c1-11-6-8-12(9-7-11)20(18,19)10-17-14-5-3-2-4-13(14)15-16-17/h2-9H,10H2,1H3
InChI Key:
LENAYJMPTOQEPY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Cn1nnc2c1cccc2
Properties
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.073g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.337g/mol
Monoisotopic Mass:
287.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties