90109-92-5 Purity
---
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula of the compound is C8H6BrNO.
The molecular weight of the compound is 212.04 g/mol.
The IUPAC name of the compound is 3-bromo-4-(hydroxymethyl)benzonitrile.
The InChI of the compound is InChI=1S/C8H6BrNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2.
The InChIKey of the compound is LMKVEJWFFPCGJC-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=C(C=C1C#N)Br)CO.
The CAS number of the compound is 90110-98-8.
The XLogP3-AA value of the compound is 1.4.
The compound has 1 hydrogen bond donor count.
The compound has 2 hydrogen bond acceptor count.