CAS
945426-71-1 Purity
96%
945426-71-1 Purity
96%
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2-Borono-5-(dimethylamino)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester
CAS
945493-49-2
Catalog Number
ACM945493492
Category
Other Products
Molecular Formula
C15H21BN2O4
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Specification
Synonyms
1H-Indole-1-carboxylic acid, 2-borono-5-(dimethylamino)-, 1-(1,1-dimethylethyl) ester
What is the molecular formula of 2-Borono-5-(dimethylamino)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?
The molecular formula is C15H21BN2O4.
What is the molecular weight of 2-Borono-5-(dimethylamino)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?
The molecular weight is 304.15 g/mol.
What is the IUPAC name of 2-Borono-5-(dimethylamino)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?
The IUPAC name is [5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.
What is the InChI of 2-Borono-5-(dimethylamino)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?
The InChI is InChI=1S/C15H21BN2O4/c1-15(2,3)22-14(19)18-12-7-6-11(17(4)5)8-10(12)9-13(18)16(20)21/h6-9,20-21H,1-5H3.
How many hydrogen bond donor counts are there in 2-Borono-5-(dimethylamino)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?
There are 2 hydrogen bond donor counts.
What is the total heavy atom count in 2-Borono-5-(dimethylamino)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?
The heavy atom count is 22.
Is 2-Borono-5-(dimethylamino)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester a canonicalized compound?
Yes, it is a canonicalized compound.
What is the topological polar surface area of 2-Borono-5-(dimethylamino)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?
The topological polar surface area is 74.9 Å2.
How many rotatable bond counts are there in 2-Borono-5-(dimethylamino)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?
There are 4 rotatable bond counts.
What is the InChIKey of 2-Borono-5-(dimethylamino)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?
The InChIKey is KQJRUICWEPXFIJ-UHFFFAOYSA-N.
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