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Home > Nitro Compounds > 84547-72-8
84547-72-8 | 1H-Pyrazole, 1-methyl-3-[2-(4-nitrophenyl)ethenyl]-
CAS No: 84547-72-8 Catalog No: AG0053W5 MDL No:
Product Description
Catalog Number:
AG0053W5
Chemical Name:
1H-Pyrazole, 1-methyl-3-[2-(4-nitrophenyl)ethenyl]-
CAS Number:
84547-72-8
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
1-methyl-3-[2-(4-nitrophenyl)ethenyl]pyrazole
InChI:
InChI=1S/C12H11N3O2/c1-14-9-8-11(13-14)5-2-10-3-6-12(7-4-10)15(16)17/h2-9H,1H3
InChI Key:
YMIVEVZBMSBYSL-UHFFFAOYSA-N
SMILES:
Cn1ccc(n1)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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