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Home > Nitro Compounds > 392726-23-7
392726-23-7 | 5-nitro-2-(pyridin-2-ylthio)benzoic acid
CAS No: 392726-23-7 Catalog No: AG00JHCS MDL No:MFCD02316033
Product Description
Catalog Number:
AG00JHCS
Chemical Name:
5-nitro-2-(pyridin-2-ylthio)benzoic acid
CAS Number:
392726-23-7
Molecular Formula:
C12H8N2O4S
Molecular Weight:
276.2679
MDL Number:
MFCD02316033
IUPAC Name:
5-nitro-2-pyridin-2-ylsulfanylbenzoic acid
InChI:
InChI=1S/C12H8N2O4S/c15-12(16)9-7-8(14(17)18)4-5-10(9)19-11-3-1-2-6-13-11/h1-7H,(H,15,16)
InChI Key:
NCXBAMZFFDFXKM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1Sc1ccccn1)[N+](=O)[O-]
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.02g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.266g/mol
Monoisotopic Mass:
276.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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