Home Sulfos 3-Bromo-1-[isocyano-(toluene-4-sulfonyl)-methyl]-benzene

3-Bromo-1-[isocyano-(toluene-4-sulfonyl)-methyl]-benzene

CAS No.:
655256-70-5
Catalog Number:
AG00ECX9
Molecular Formula:
C15H12BrNO2S
Molecular Weight:
350.2303
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 95% (LC)
1 week
United States
$159
- +
250mg
≥ 95% (LC)
1 week
United States
$265
- +
Product Description
Catalog Number:
AG00ECX9
Chemical Name:
3-Bromo-1-[isocyano-(toluene-4-sulfonyl)-methyl]-benzene
CAS Number:
655256-70-5
Molecular Formula:
C15H12BrNO2S
Molecular Weight:
350.2303
MDL Number:
MFCD04114783
IUPAC Name:
1-bromo-3-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
InChI:
InChI=1S/C15H12BrNO2S/c1-11-6-8-14(9-7-11)20(18,19)15(17-2)12-4-3-5-13(16)10-12/h3-10,15H,1H3
InChI Key:
DVWQTDDROHVAFJ-UHFFFAOYSA-N
SMILES:
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1cccc(c1)Br
Properties
Complexity:
468  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.977g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.23g/mol
Monoisotopic Mass:
348.977g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties