Home Other Building Blocks 3-NITROPHENYLPHENYLSULFIDE

3-NITROPHENYLPHENYLSULFIDE

CAS No.:
37984-02-4
Catalog Number:
AG00D3FK
Molecular Formula:
C12H9NO2S
Molecular Weight:
231.2704
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00D3FK
Chemical Name:
3-NITROPHENYLPHENYLSULFIDE
CAS Number:
37984-02-4
Molecular Formula:
C12H9NO2S
Molecular Weight:
231.2704
MDL Number:
MFCD00096275
IUPAC Name:
1-nitro-3-phenylsulfanylbenzene
InChI:
InChI=1S/C12H9NO2S/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H
InChI Key:
LHVHVBIVNJWKDK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)Sc1ccccc1
Properties
Complexity:
236  
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:
3.8  
Properties