Home Nitros Benzoic acid, 2-[(2-nitrophenyl)thio]-

Benzoic acid, 2-[(2-nitrophenyl)thio]-

CAS No.:
19806-43-0
Catalog Number:
AG002B9S
Molecular Formula:
C13H9NO4S
Molecular Weight:
275.2799
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Product Description
Catalog Number:
AG002B9S
Chemical Name:
Benzoic acid, 2-[(2-nitrophenyl)thio]-
CAS Number:
19806-43-0
Molecular Formula:
C13H9NO4S
Molecular Weight:
275.2799
MDL Number:
MFCD00204526
IUPAC Name:
2-(2-nitrophenyl)sulfanylbenzoic acid
InChI:
InChI=1S/C13H9NO4S/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)
InChI Key:
SUOKPGGNWNCXQT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]
NSC Number:
658183
Properties
Complexity:
344  
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:
3.5  
Properties