Home Sulfos alfa-(4-Toluenesulfonyl)-3-methoxybenzylisocyanide

alfa-(4-Toluenesulfonyl)-3-methoxybenzylisocyanide

CAS No.:
394655-17-5
Catalog Number:
AG00793G
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$75
- +
1g
97%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG00793G
Chemical Name:
alfa-(4-Toluenesulfonyl)-3-methoxybenzylisocyanide
CAS Number:
394655-17-5
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
MDL Number:
MFCD01311739
IUPAC Name:
1-[isocyano-(4-methylphenyl)sulfonylmethyl]-3-methoxybenzene
InChI:
InChI=1S/C16H15NO3S/c1-12-7-9-15(10-8-12)21(18,19)16(17-2)13-5-4-6-14(11-13)20-3/h4-11,16H,1,3H3
InChI Key:
INJOLCGALKIREA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(S(=O)(=O)c1ccc(cc1)C)[N+]#[C-]
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.077g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.36g/mol
Monoisotopic Mass:
301.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties