Home Nitros 1-((Methylsulfinyl)methyl)-3-nitrobenzene

1-((Methylsulfinyl)methyl)-3-nitrobenzene

CAS No.:
1414944-11-8
Catalog Number:
AG00HW0T
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$200
- +
250mg
95%
In Stock USA
United States
$368
- +
1g
95%
In Stock USA
United States
$735
- +
5g
95%
In Stock USA
United States
$2205
- +
Product Description
Catalog Number:
AG00HW0T
Chemical Name:
1-((Methylsulfinyl)methyl)-3-nitrobenzene
CAS Number:
1414944-11-8
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD29059358
IUPAC Name:
1-(methylsulfinylmethyl)-3-nitrobenzene
InChI:
InChI=1S/C8H9NO3S/c1-13(12)6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3
InChI Key:
UWKGKAZBUKEURD-UHFFFAOYSA-N
SMILES:
CS(=O)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties