CAS
913388-71-3 Purity
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913388-71-3 Purity
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2-Borono-5-[(dimethylamino)methyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester
CAS
913388-74-6
Catalog Number
ACM913388746
Category
Other Products
Molecular Formula
C16H23BN2O4
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Specification
Synonyms
1H-Indole-1-carboxylic acid, 2-borono-5-[(dimethylamino)methyl]-, 1-(1,1-dimethylethyl) ester
What is the molecular formula of 2-Borono-5-[(dimethylamino)methyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?
The molecular formula is C16H23BN2O4.
What is the molecular weight of 2-Borono-5-[(dimethylamino)methyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester?
The molecular weight is 318.2 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is [5-[(dimethylamino)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C16H23BN2O4/c1-16(2,3)23-15(20)19-13-7-6-11(10-18(4)5)8-12(13)9-14(19)17(21)22/h6-9,21-22H,10H2,1-5H3.
What is the InChIKey of the compound?
The InChIKey is DDFZDMZDMLORBU-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES is B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)CN(C)C)(O)O.
What is the CAS number of the compound?
The CAS number is 913388-74-6.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count is 5.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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