CAS
33674-96-3 Purity
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33674-96-3 Purity
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6-Bromo-2-isopropyl-4-oxo-1,4-dihydroquinoline-3-carbonitrile
CAS
1210196-09-0
Catalog Number
ACM1210196090
Category
Bromine Series
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What is the molecular formula of 6-Bromo-2-isopropyl-4-oxo-1,4-dihydroquinoline-3-carbonitrile?
The molecular formula is C13H11BrN2O.
What is the molecular weight of 6-Bromo-2-isopropyl-4-oxo-1,4-dihydroquinoline-3-carbonitrile?
The molecular weight is 291.14 g/mol.
What is the IUPAC name of 6-Bromo-2-isopropyl-4-oxo-1,4-dihydroquinoline-3-carbonitrile?
The IUPAC name is 6-bromo-4-oxo-2-propan-2-yl-1H-quinoline-3-carbonitrile.
What is the InChI of 6-Bromo-2-isopropyl-4-oxo-1,4-dihydroquinoline-3-carbonitrile?
The InChI is InChI=1S/C13H11BrN2O/c1-7(2)12-10(6-15)13(17)9-5-8(14)3-4-11(9)16-12/h3-5,7H,1-2H3,(H,16,17).
What is the InChIKey of 6-Bromo-2-isopropyl-4-oxo-1,4-dihydroquinoline-3-carbonitrile?
The InChIKey is GHTDVLJTFMLHKX-UHFFFAOYSA-N.
What is the canonical SMILES of 6-Bromo-2-isopropyl-4-oxo-1,4-dihydroquinoline-3-carbonitrile?
The canonical SMILES is CC(C)C1=C(C(=O)C2=C(N1)C=CC(=C2)Br)C#N.
What is the CAS number of 6-Bromo-2-isopropyl-4-oxo-1,4-dihydroquinoline-3-carbonitrile?
The CAS number is 1210196-09-0.
What is the DSSTox Substance ID of 6-Bromo-2-isopropyl-4-oxo-1,4-dihydroquinoline-3-carbonitrile?
The DSSTox Substance ID is DTXSID20672046.
What is the XLogP3-AA value of 6-Bromo-2-isopropyl-4-oxo-1,4-dihydroquinoline-3-carbonitrile?
The XLogP3-AA value is 3.3.
Is 6-Bromo-2-isopropyl-4-oxo-1,4-dihydroquinoline-3-carbonitrile a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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