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89384-30-5 | 1H-Imidazole, 1-[2-bromo-2-(2,4-dichlorophenyl)-1-oxopropyl]-
CAS No: 89384-30-5 Catalog No: AG003WDD MDL No:
Product Description
Catalog Number:
AG003WDD
Chemical Name:
1H-Imidazole, 1-[2-bromo-2-(2,4-dichlorophenyl)-1-oxopropyl]-
CAS Number:
89384-30-5
Molecular Formula:
C12H9BrCl2N2O
Molecular Weight:
348.0227
IUPAC Name:
2-bromo-2-(2,4-dichlorophenyl)-1-imidazol-1-ylpropan-1-one
InChI:
InChI=1S/C12H9BrCl2N2O/c1-12(13,11(18)17-5-4-16-7-17)9-3-2-8(14)6-10(9)15/h2-7H,1H3
InChI Key:
OJPYIDHIJPPFKY-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(C(=O)n1cncc1)(Br)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.928g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.021g/mol
Monoisotopic Mass:
345.928g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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