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1218910-50-9 | 1H-Imidazole, 5-(3-bromophenyl)-1-methyl-
CAS No: 1218910-50-9 Catalog No: AG0016C5 MDL No:MFCD18375272
Product Description
Catalog Number:
AG0016C5
Chemical Name:
1H-Imidazole, 5-(3-bromophenyl)-1-methyl-
CAS Number:
1218910-50-9
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
MDL Number:
MFCD18375272
IUPAC Name:
5-(3-bromophenyl)-1-methylimidazole
InChI:
InChI=1S/C10H9BrN2/c1-13-7-12-6-10(13)8-3-2-4-9(11)5-8/h2-7H,1H3
InChI Key:
ZBKTVJWYHULGAW-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1cncn1C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.1g/mol
Monoisotopic Mass:
235.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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