Home Other Building Blocks 4-Nitrophenyl phenyl sulfide

4-Nitrophenyl phenyl sulfide

CAS No.:
952-97-6
Catalog Number:
AG003LW4
Molecular Formula:
C12H9NO2S
Molecular Weight:
231.2704
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$107
- +
100g
98%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG003LW4
Chemical Name:
4-Nitrophenyl phenyl sulfide
CAS Number:
952-97-6
Molecular Formula:
C12H9NO2S
Molecular Weight:
231.2704
MDL Number:
MFCD00024700
IUPAC Name:
1-nitro-4-phenylsulfanylbenzene
InChI:
InChI=1S/C12H9NO2S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
InChI Key:
RJCBYBQJVXVVKB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Sc1ccccc1
EC Number:
213-462-5
NSC Number:
87341
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.269g/mol
Monoisotopic Mass:
231.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties