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Home > Nitro Compounds > 10234-90-9
10234-90-9 | 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-[(2-nitrophenyl)methylene]-
CAS No: 10234-90-9 Catalog No: AG00078M MDL No:
Product Description
Catalog Number:
AG00078M
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-[(2-nitrophenyl)methylene]-
CAS Number:
10234-90-9
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
IUPAC Name:
3-methyl-4-[(2-nitrophenyl)methylidene]-1H-pyrazol-5-one
InChI:
InChI=1S/C11H9N3O3/c1-7-9(11(15)13-12-7)6-8-4-2-3-5-10(8)14(16)17/h2-6H,1H3,(H,13,15)
InChI Key:
PXXXLRCRODHUNU-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C1=Cc1ccccc1[N+](=O)[O-])C
Properties
Complexity:
409
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:
1
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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