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Home > Nitro Compounds > 1006571-64-7
1006571-64-7 | 1-(4-methoxyphenyl)-2-(4-nitro-1H-pyrazol-1-yl)ethan-1-one
CAS No: 1006571-64-7 Catalog No: AG00JV1N MDL No:
Product Description
Catalog Number:
AG00JV1N
Chemical Name:
1-(4-methoxyphenyl)-2-(4-nitro-1H-pyrazol-1-yl)ethan-1-one
CAS Number:
1006571-64-7
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
IUPAC Name:
1-(4-methoxyphenyl)-2-(4-nitropyrazol-1-yl)ethanone
InChI:
InChI=1S/C12H11N3O4/c1-19-11-4-2-9(3-5-11)12(16)8-14-7-10(6-13-14)15(17)18/h2-7H,8H2,1H3
InChI Key:
ZBCDVCQRRSYCCR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Cn1ncc(c1)[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:
1.5
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