4-Bromomethyl-2-chloropyrimidine

• CAS: 181363-06-4
• Catalog Number: ACM181363064
• Category: Bromine Series
• Molecular Weight: 207.46
• Molecular Formula: C₅H₄BrClN₂
• Synonyms: 181363-06-4, 4-(BROMOMETHYL)-2-CHLOROPYRIMIDINE, 4-Bromomethyl-2-chloro-pyrimidine, PubChem23940, CTK5I9874, MolPort-004-804-291, ANW-61947, WTI-10077, ZINC30677785, AKOS015836238, AG-A-72946, RP26348, 4-BROMOMETHYL-2-CHLOROPYRIMIDINE, AK-33803, AM100409, KB-37391, AB1009687, A4021, FT-0650223, I14-13520
• IUPAC Name: 4-(bromomethyl)-2-chloropyrimidine
• Canonical SMILES: C1=CN=C(N=C1CBr)Cl
• InChI Key: FONRFIJJNODTBH-UHFFFAOYSA-N
• Boiling Point: 315.3ºC at 760 mmHg
• Flash Point: 144.5ºC
• Density: 1.768g/cm³
• Exact Mass: 205.92500
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 4-Bromomethyl-2-chloropyrimidine?

The molecular formula is C5H4BrClN2.

What is the molecular weight of 4-Bromomethyl-2-chloropyrimidine?

The molecular weight is 207.45 g/mol.

What is the IUPAC name of 4-Bromomethyl-2-chloropyrimidine?

The IUPAC name is 4-(bromomethyl)-2-chloropyrimidine.

What is the InChI of 4-Bromomethyl-2-chloropyrimidine?

The InChI is InChI=1S/C5H4BrClN2/c6-3-4-1-2-8-5(7)9-4/h1-2H,3H2.

What is the InChIKey of 4-Bromomethyl-2-chloropyrimidine?

The InChIKey is FONRFIJJNODTBH-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromomethyl-2-chloropyrimidine?

The canonical SMILES is C1=CN=C(N=C1CBr)Cl.

What is the CAS number of 4-Bromomethyl-2-chloropyrimidine?

The CAS number is 181363-06-4.

What is the DSSTox Substance ID of 4-Bromomethyl-2-chloropyrimidine?

The DSSTox Substance ID is DTXSID80630369.

What is the XLogP3-AA value of 4-Bromomethyl-2-chloropyrimidine?

The XLogP3-AA value is 1.8.

Is 4-Bromomethyl-2-chloropyrimidine a canonicalized compound?

Yes, it is a canonicalized compound.