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Home > Nitro Compounds > 845266-21-9
845266-21-9 | 1H-Pyrazole,3-[2-(methylthio)-5-nitrophenyl]-
CAS No: 845266-21-9 Catalog No: AG004RY5 MDL No:MFCD00105785
Product Description
Catalog Number:
AG004RY5
Chemical Name:
1H-Pyrazole,3-[2-(methylthio)-5-nitrophenyl]-
CAS Number:
845266-21-9
Molecular Formula:
C10H9N3O2S
Molecular Weight:
235.2624
MDL Number:
MFCD00105785
IUPAC Name:
5-(2-methylsulfanyl-5-nitrophenyl)-1H-pyrazole
InChI:
InChI=1S/C10H9N3O2S/c1-16-10-3-2-7(13(14)15)6-8(10)9-4-5-11-12-9/h2-6H,1H3,(H,11,12)
InChI Key:
OEXCWHTZQHSQPU-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1c1n[nH]cc1)[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.261g/mol
Monoisotopic Mass:
235.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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