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89372-59-8 | 1H-Imidazole, 1-[2-[(2-bromophenyl)methyl]-3,3-dimethyl-1-oxobutyl]-
CAS No: 89372-59-8 Catalog No: AG003X42 MDL No:
Product Description
Catalog Number:
AG003X42
Chemical Name:
1H-Imidazole, 1-[2-[(2-bromophenyl)methyl]-3,3-dimethyl-1-oxobutyl]-
CAS Number:
89372-59-8
Molecular Formula:
C16H19BrN2O
Molecular Weight:
335.2389
IUPAC Name:
2-[(2-bromophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-1-one
InChI:
InChI=1S/C16H19BrN2O/c1-16(2,3)13(15(20)19-9-8-18-11-19)10-12-6-4-5-7-14(12)17/h4-9,11,13H,10H2,1-3H3
InChI Key:
FDCLOXMOSQFBFF-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CC(C(C)(C)C)C(=O)n1cncc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.245g/mol
Monoisotopic Mass:
334.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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