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101853-86-5 | 1H-Imidazole, 4,5-dibromo-1-(phenylmethyl)-2-(phenylthio)-
CAS No: 101853-86-5 Catalog No: AG0005Q6 MDL No:
Product Description
Catalog Number:
AG0005Q6
Chemical Name:
1H-Imidazole, 4,5-dibromo-1-(phenylmethyl)-2-(phenylthio)-
CAS Number:
101853-86-5
Molecular Formula:
C16H12Br2N2S
Molecular Weight:
424.1529
IUPAC Name:
1-benzyl-4,5-dibromo-2-phenylsulfanylimidazole
InChI:
InChI=1S/C16H12Br2N2S/c17-14-15(18)20(11-12-7-3-1-4-8-12)16(19-14)21-13-9-5-2-6-10-13/h1-10H,11H2
InChI Key:
BWPZCKXAHHFOPG-UHFFFAOYSA-N
SMILES:
Brc1c(Br)nc(n1Cc1ccccc1)Sc1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.907g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.154g/mol
Monoisotopic Mass:
421.909g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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