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101868-30-8 | Benzoic acid, 3,5-dibromo-2-hydroxy-, 2-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylene]hydrazide
CAS No: 101868-30-8 Catalog No: AG0005T8 MDL No:
Product Description
Catalog Number:
AG0005T8
Chemical Name:
Benzoic acid, 3,5-dibromo-2-hydroxy-, 2-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylene]hydrazide
CAS Number:
101868-30-8
Molecular Formula:
C19H16Br2N4O3
Molecular Weight:
508.1633
IUPAC Name:
3,5-dibromo-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
InChI:
InChI=1S/C19H16Br2N4O3/c1-11-15(19(28)25(24(11)2)13-6-4-3-5-7-13)10-22-23-18(27)14-8-12(20)9-16(21)17(14)26/h3-10,26H,1-2H3,(H,23,27)
InChI Key:
MCHSUKWGSALGLY-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)C(=O)NN=Cc1c(=O)n(n(c1C)C)c1ccccc1)O
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.957g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
508.17g/mol
Monoisotopic Mass:
505.959g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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