Home Nitros 4-[(4-nitrophenyl)sulfanyl]benzoic acid

4-[(4-nitrophenyl)sulfanyl]benzoic acid

CAS No.:
33174-23-1
Catalog Number:
AG01A124
Molecular Formula:
C13H9NO4S
Molecular Weight:
275.2799
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A124
Chemical Name:
4-[(4-nitrophenyl)sulfanyl]benzoic acid
CAS Number:
33174-23-1
Molecular Formula:
C13H9NO4S
Molecular Weight:
275.2799
MDL Number:
MFCD12550242
IUPAC Name:
4-(4-nitrophenyl)sulfanylbenzoic acid
InChI:
InChI=1S/C13H9NO4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)
InChI Key:
RSACONFHXJUVSZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.025g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.278g/mol
Monoisotopic Mass:
275.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties