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122019-46-9 | Benzamide, N-(2,3-dihydro-5-methyl-3-oxo-1H-pyrazol-4-yl)-
CAS No: 122019-46-9 Catalog No: AG0016MB MDL No:
Product Description
Catalog Number:
AG0016MB
Chemical Name:
Benzamide, N-(2,3-dihydro-5-methyl-3-oxo-1H-pyrazol-4-yl)-
CAS Number:
122019-46-9
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)benzamide
InChI:
InChI=1S/C11H11N3O2/c1-7-9(11(16)14-13-7)12-10(15)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,15)(H2,13,14,16)
InChI Key:
GBFBJYWABPDRPX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1c(C)[nH][nH]c1=O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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