What is the molecular formula of 1-Bromo-2-ethynylbenzene?
The molecular formula of 1-Bromo-2-ethynylbenzene is C8H5Br.
What is the molecular weight of 1-Bromo-2-ethynylbenzene?
The molecular weight of 1-Bromo-2-ethynylbenzene is 181.03 g/mol.
What is the IUPAC name of 1-Bromo-2-ethynylbenzene?
The IUPAC name of 1-Bromo-2-ethynylbenzene is 1-bromo-2-ethynylbenzene.
What is the InChI of 1-Bromo-2-ethynylbenzene?
The InChI of 1-Bromo-2-ethynylbenzene is InChI=1S/C8H5Br/c1-2-7-5-3-4-6-8(7)9/h1,3-6H.
What is the InChIKey of 1-Bromo-2-ethynylbenzene?
The InChIKey of 1-Bromo-2-ethynylbenzene is RVDOYUFNRDGYGU-UHFFFAOYSA-N.
What is the canonical SMILES of 1-Bromo-2-ethynylbenzene?
The canonical SMILES of 1-Bromo-2-ethynylbenzene is C#CC1=CC=CC=C1Br.
What is the CAS number of 1-Bromo-2-ethynylbenzene?
The CAS number of 1-Bromo-2-ethynylbenzene is 766-46-1.
What is the XLogP3-AA value of 1-Bromo-2-ethynylbenzene?
The XLogP3-AA value of 1-Bromo-2-ethynylbenzene is 2.9.
Is 1-Bromo-2-ethynylbenzene a canonicalized compound?
Yes, 1-Bromo-2-ethynylbenzene is a canonicalized compound.