Home Halogens 4-bromo-1-(oxan-4-yl)-1H-imidazole

4-bromo-1-(oxan-4-yl)-1H-imidazole

CAS No.:
1353853-99-2
Catalog Number:
AG01BS7F
Molecular Formula:
C8H11BrN2O
Molecular Weight:
231.0897
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Product Description
Catalog Number:
AG01BS7F
Chemical Name:
4-bromo-1-(oxan-4-yl)-1H-imidazole
CAS Number:
1353853-99-2
Molecular Formula:
C8H11BrN2O
Molecular Weight:
231.0897
MDL Number:
MFCD22372003
IUPAC Name:
4-bromo-1-(oxan-4-yl)imidazole
InChI:
InChI=1S/C8H11BrN2O/c9-8-5-11(6-10-8)7-1-3-12-4-2-7/h5-7H,1-4H2
InChI Key:
GKRHVNPCXXWYJO-UHFFFAOYSA-N
SMILES:
Brc1ncn(c1)C1CCOCC1
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.005g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.093g/mol
Monoisotopic Mass:
230.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties