CAS
26177-44-6 Purity
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26177-44-6 Purity
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Tert-butyl 5,6-dibromo-2,4-difluoronicotinate
CAS
1426530-12-2
Catalog Number
ACM1426530122
Category
Bromine Series
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What is the molecular formula of tert-butyl 5,6-dibromo-2,4-difluoronicotinate?
The molecular formula is C10H9Br2F2NO2.
What is the molecular weight of tert-butyl 5,6-dibromo-2,4-difluoronicotinate?
The molecular weight is 372.99 g/mol.
What is the IUPAC name of tert-butyl 5,6-dibromo-2,4-difluoronicotinate?
The IUPAC name is tert-butyl 5,6-dibromo-2,4-difluoropyridine-3-carboxylate.
What is the InChI of tert-butyl 5,6-dibromo-2,4-difluoronicotinate?
The InChI is InChI=1S/C10H9Br2F2NO2/c1-10(2,3)17-9(16)4-6(13)5(11)7(12)15-8(4)14/h1-3H3.
What is the InChIKey of tert-butyl 5,6-dibromo-2,4-difluoronicotinate?
The InChIKey is JGIHUTSESKAURM-UHFFFAOYSA-N.
What is the canonical SMILES of tert-butyl 5,6-dibromo-2,4-difluoronicotinate?
The canonical SMILES is CC(C)(C)OC(=O)C1=C(C(=C(N=C1F)Br)Br)F.
What is the XLogP3-AA value of tert-butyl 5,6-dibromo-2,4-difluoronicotinate?
The XLogP3-AA value is 3.9.
How many hydrogen bond donor counts does tert-butyl 5,6-dibromo-2,4-difluoronicotinate have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does tert-butyl 5,6-dibromo-2,4-difluoronicotinate have?
It has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does tert-butyl 5,6-dibromo-2,4-difluoronicotinate have?
It has 3 rotatable bond counts.
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