200,000+ products from a single source!
sales@angenechem.com
89372-76-9 | 1H-Imidazole, 1-[2-[(4-bromophenyl)methyl]-3,3-dimethyl-1-oxopentyl]-
CAS No: 89372-76-9 Catalog No: AG003X3Y MDL No:
Product Description
Catalog Number:
AG003X3Y
Chemical Name:
1H-Imidazole, 1-[2-[(4-bromophenyl)methyl]-3,3-dimethyl-1-oxopentyl]-
CAS Number:
89372-76-9
Molecular Formula:
C17H21BrN2O
Molecular Weight:
349.2654
IUPAC Name:
2-[(4-bromophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylpentan-1-one
InChI:
InChI=1S/C17H21BrN2O/c1-4-17(2,3)15(16(21)20-10-9-19-12-20)11-13-5-7-14(18)8-6-13/h5-10,12,15H,4,11H2,1-3H3
InChI Key:
KLZLXYAMWIVESX-UHFFFAOYSA-N
SMILES:
CCC(C(C(=O)n1cncc1)Cc1ccc(cc1)Br)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.272g/mol
Monoisotopic Mass:
348.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.