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72459-45-1 | 1-(2-Bromobenzyl)-1H-imidazole
CAS No: 72459-45-1 Catalog No: AG005HFF MDL No:MFCD13396249
Product Description
Catalog Number:
AG005HFF
Chemical Name:
1-(2-Bromobenzyl)-1H-imidazole
CAS Number:
72459-45-1
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
MDL Number:
MFCD13396249
IUPAC Name:
1-[(2-bromophenyl)methyl]imidazole
InChI:
InChI=1S/C10H9BrN2/c11-10-4-2-1-3-9(10)7-13-6-5-12-8-13/h1-6,8H,7H2
InChI Key:
OXQPWBLBKUIDOU-UHFFFAOYSA-N
SMILES:
Brc1ccccc1Cn1cncc1
Properties
Complexity:
163
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:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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