4-(3-BROMOPHENYL)TETRAHYDROPYRAN-4-CARBONITRILE


Chemical Name: 4-(3-BROMOPHENYL)TETRAHYDROPYRAN-4-CARBONITRILE
CAS Number: 245439-36-5
Product Number: AG002OH7(AGN-PC-009JM3)
Synonyms:
MDL No: MFCD08277238
Molecular Formula: C12H12BrNO
Molecular Weight: 266.1338

Identification/Properties


Computed Properties
Molecular Weight:
266.138g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
265.01g/mol
Monoisotopic Mass:
265.01g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
264
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



4-(3-Bromophenyl)tetrahydro-2H-pyran-4-carbonitrile is a versatile compound used in chemical synthesis to introduce a unique structural motif into organic molecules. Its cyano group enables it to participate in various reactions, such as nucleophilic additions and substitution reactions. This compound serves as a valuable building block for the synthesis of complex molecules in medicinal chemistry, agrochemicals, and materials science. Additionally, its heterocyclic nature provides opportunities for creating diverse chemical functionalities, making it a valuable tool in the creation of novel compounds with potential biological or material applications.