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Home > Nitro Compounds > 1457-53-0
1457-53-0 | Ethanone, 1-(3-nitrophenyl)-2-(1H-pyrazol-1-yl)-
CAS No: 1457-53-0 Catalog No: AG001DBX MDL No:
Product Description
Catalog Number:
AG001DBX
Chemical Name:
Ethanone, 1-(3-nitrophenyl)-2-(1H-pyrazol-1-yl)-
CAS Number:
1457-53-0
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
IUPAC Name:
1-(3-nitrophenyl)-2-pyrazol-1-ylethanone
InChI:
InChI=1S/C11H9N3O3/c15-11(8-13-6-2-5-12-13)9-3-1-4-10(7-9)14(16)17/h1-7H,8H2
InChI Key:
CXLDZFICUQYTFE-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Cn1cccn1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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