What is the molecular formula of IANBD ester?
The molecular formula of IANBD ester is C11H11IN4O5.
When was IANBD ester created and last modified?
IANBD ester was created on 2005-07-19 and last modified on 2023-12-30.
What is the IUPAC name of IANBD ester?
The IUPAC name of IANBD ester is 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-iodoacetate.
What is the InChI of IANBD ester?
The InChI of IANBD ester is InChI=1S/C11H11IN4O5/c1-15(4-5-20-9(17)6-12)7-2-3-8(16(18)19)11-10(7)13-21-14-11/h2-3H,4-6H2,1H3.
What is the Canonical SMILES of IANBD ester?
The Canonical SMILES of IANBD ester is CN(CCOC(=O)CI)C1=CC=C(C2=NON=C12)[N+](=O)[O-].
What is the molecular weight of IANBD ester?
The molecular weight of IANBD ester is 406.13 g/mol.
How many hydrogen bond donor counts does IANBD ester have?
IANBD ester has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does IANBD ester have?
IANBD ester has 8 hydrogen bond acceptor counts.
How many rotatable bond counts does IANBD ester have?
IANBD ester has 6 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.