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Home > Nitro Compounds > 482573-99-9
482573-99-9 | 2-(4-nitro-1H-pyrazol-1-yl)-1-phenylethan-1-one
CAS No: 482573-99-9 Catalog No: AG00JV1X MDL No:MFCD00491191
Product Description
Catalog Number:
AG00JV1X
Chemical Name:
2-(4-nitro-1H-pyrazol-1-yl)-1-phenylethan-1-one
CAS Number:
482573-99-9
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD00491191
IUPAC Name:
2-(4-nitropyrazol-1-yl)-1-phenylethanone
InChI:
InChI=1S/C11H9N3O3/c15-11(9-4-2-1-3-5-9)8-13-7-10(6-12-13)14(16)17/h1-7H,8H2
InChI Key:
LCSLHGBTVJMUCW-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Cn1ncc(c1)[N+](=O)[O-]
Properties
Complexity:
297
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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