374633-36-0 Purity
98%
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Specification
The molecular formula of 7-Bromo-1,2,3,4-tetrahydro-acridine-9-carboxylic acid is C14H12BrNO2.
The molecular weight of 7-Bromo-1,2,3,4-tetrahydro-acridine-9-carboxylic acid is 306.15 g/mol.
7-Bromo-1,2,3,4-tetrahydro-acridine-9-carboxylic acid was created on July 8, 2005.
The IUPAC name of 7-Bromo-1,2,3,4-tetrahydro-acridine-9-carboxylic acid is 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
The InChI of 7-Bromo-1,2,3,4-tetrahydro-acridine-9-carboxylic acid is InChI=1S/C14H12BrNO2/c15-8-5-6-12-10(7-8)13(14(17)18)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H,17,18).
The InChIKey of 7-Bromo-1,2,3,4-tetrahydro-acridine-9-carboxylic acid is INXRKMNRRUIKBF-UHFFFAOYSA-N.
The canonical SMILES of 7-Bromo-1,2,3,4-tetrahydro-acridine-9-carboxylic acid is C1CCC2=NC3=C(C=C(C=C3)Br)C(=C2C1)C(=O)O.
The XLogP3 value of 7-Bromo-1,2,3,4-tetrahydro-acridine-9-carboxylic acid is 3.6.
There is 1 hydrogen bond donor count in 7-Bromo-1,2,3,4-tetrahydro-acridine-9-carboxylic acid.
There are 3 hydrogen bond acceptor counts in 7-Bromo-1,2,3,4-tetrahydro-acridine-9-carboxylic acid.