931101-84-7 Purity
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Specification
The molecular formula of Benzene-2,3,5,6-d4-methanol,4-fluoro-(9ci) is C7H7FO.
The molecular weight of Benzene-2,3,5,6-d4-methanol,4-fluoro-(9ci) is 130.15 g/mol.
Benzene-2,3,5,6-d4-methanol,4-fluoro-(9ci) was created on February 16, 2015.
The IUPAC name of Benzene-2,3,5,6-d4-methanol,4-fluoro-(9ci) is (2,3,5,6-tetradeuterio-4-fluorophenyl)methanol.
The InChI of Benzene-2,3,5,6-d4-methanol,4-fluoro-(9ci) is InChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2/i1D,2D,3D,4D.
The InChIKey of Benzene-2,3,5,6-d4-methanol,4-fluoro-(9ci) is GEZMEIHVFSWOCA-RHQRLBAQSA-N.
The canonical SMILES of Benzene-2,3,5,6-d4-methanol,4-fluoro-(9ci) is C1=CC(=CC=C1CO)F.
The XLogP3 value of Benzene-2,3,5,6-d4-methanol,4-fluoro-(9ci) is 1.4.
Benzene-2,3,5,6-d4-methanol,4-fluoro-(9ci) has 1 hydrogen bond donor count.
Benzene-2,3,5,6-d4-methanol,4-fluoro-(9ci) has 2 hydrogen bond acceptor counts.