1-Chloro-4-ethynylbenzene

• CAS: 873-73-4
• Catalog Number: ACM873734
• Category: Alkynyl
• Molecular Weight: 136.58g/mol
• Molecular Formula: C8H5Cl
• IUPAC Name: 1-chloro-4-ethynylbenzene
• Canonical SMILES: C#CC1=CC=C(C=C1)Cl
• InChI: InChI=1S/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
• InChI Key: LFZJRTMTKGYJRS-UHFFFAOYSA-N
• Complexity: 123
• Covalently-Bonded Unit Count: 1
• Exact Mass: 136.007978g/mol
• Formal Charge: 0
• Hazard Statements: H226-H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 9
• Monoisotopic Mass: 136.007978g/mol
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 1
• Symbol: GHS02
• XLogP3: 3.2

Custom Q&A

What is the PubChem CID of 1-Chloro-4-ethynylbenzene?

PubChem CID 70118.

What is the molecular formula of 1-Chloro-4-ethynylbenzene?

The molecular formula is C8H5Cl.

What is the molecular weight of 1-Chloro-4-ethynylbenzene?

The molecular weight is 136.58 g/mol.

What is the IUPAC name of 1-Chloro-4-ethynylbenzene?

The IUPAC name is 1-chloro-4-ethynylbenzene.

What is the InChI of 1-Chloro-4-ethynylbenzene?

The InChI is InChI=1S/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H.

What is the InChIKey of 1-Chloro-4-ethynylbenzene?

The InChIKey is LFZJRTMTKGYJRS-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Chloro-4-ethynylbenzene?

The canonical SMILES is C#CC1=CC=C(C=C1)Cl.

What is the CAS number of 1-Chloro-4-ethynylbenzene?

The CAS number is 873-73-4.

What is the XLogP3 value of 1-Chloro-4-ethynylbenzene?

The XLogP3 value is 3.2.

Is 1-Chloro-4-ethynylbenzene a canonicalized compound?

Yes, 1-Chloro-4-ethynylbenzene is a canonicalized compound.