1-[(B-bromophenyl)methyl]-1,4-diazepane


Chemical Name: 1-[(B-bromophenyl)methyl]-1,4-diazepane
CAS Number: 690632-73-6
Product Number: AG005LRR(AGN-PC-0TUEXS)
Synonyms:
MDL No:
Molecular Formula: C12H17BrN2
Molecular Weight: 269.1808

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
269.186g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
268.058g/mol
Monoisotopic Mass:
268.058g/mol
Topological Polar Surface Area:
15.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
179
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

Safety Information


NMR Spectrum


Other Analytical Data


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