Carbamic acid, (6-bromohexyl)-, phenylmethyl ester


Chemical Name: Carbamic acid, (6-bromohexyl)-, phenylmethyl ester
CAS Number: 116784-97-5
Product Number: AG000D87(AGN-PC-0047FK)
Synonyms:
MDL No:
Molecular Formula: C14H20BrNO2
Molecular Weight: 314.2181

Identification/Properties


Computed Properties
Molecular Weight:
314.223g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
9
Exact Mass:
313.068g/mol
Monoisotopic Mass:
313.068g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
218
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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NMR Spectrum


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Chemical Structure



Benzyl (6-bromohexyl)carbamate is a versatile chemical compound widely used in chemical synthesis processes. With its unique structure and properties, this compound serves as a key intermediate in the synthesis of various organic molecules. In chemical reactions, Benzyl (6-bromohexyl)carbamate acts as a valuable building block, facilitating the introduction of specific functional groups and molecular modifications. Its ability to undergo diverse chemical transformations makes it a valuable tool for organic chemists in developing complex molecules with tailored properties. From drug discovery to material science, Benzyl (6-bromohexyl)carbamate plays a crucial role in advancing research and innovation in the field of chemistry.