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Home > Nitro Compounds > 1006569-70-5
1006569-70-5 | 1-(4-methoxyphenyl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
CAS No: 1006569-70-5 Catalog No: AG00JUZK MDL No:
Product Description
Catalog Number:
AG00JUZK
Chemical Name:
1-(4-methoxyphenyl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
CAS Number:
1006569-70-5
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
IUPAC Name:
1-(4-methoxyphenyl)-2-(3-nitropyrazol-1-yl)ethanone
InChI:
InChI=1S/C12H11N3O4/c1-19-10-4-2-9(3-5-10)11(16)8-14-7-6-12(13-14)15(17)18/h2-7H,8H2,1H3
InChI Key:
DAYJLSURLKUINE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Cn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.237g/mol
Monoisotopic Mass:
261.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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