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Home > Nitro Compounds > 1240569-06-5
1240569-06-5 | 1-(naphthalen-2-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
CAS No: 1240569-06-5 Catalog No: AG00JUYL MDL No:MFCD16810584
Product Description
Catalog Number:
AG00JUYL
Chemical Name:
1-(naphthalen-2-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
CAS Number:
1240569-06-5
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
MDL Number:
MFCD16810584
IUPAC Name:
1-naphthalen-2-yl-2-(3-nitropyrazol-1-yl)ethanone
InChI:
InChI=1S/C15H11N3O3/c19-14(10-17-8-7-15(16-17)18(20)21)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10H2
InChI Key:
VRLHRBANJHTAIL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)cccc2)Cn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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