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235426-32-1 | 1H-Imidazole, 2-bromo-1-(phenylmethyl)-
CAS No: 235426-32-1 Catalog No: AG002NML MDL No:MFCD11868106
Product Description
Catalog Number:
AG002NML
Chemical Name:
1H-Imidazole, 2-bromo-1-(phenylmethyl)-
CAS Number:
235426-32-1
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
MDL Number:
MFCD11868106
IUPAC Name:
1-benzyl-2-bromoimidazole
InChI:
InChI=1S/C10H9BrN2/c11-10-12-6-7-13(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
KQCACPNUWPQBMF-UHFFFAOYSA-N
SMILES:
Brc1nccn1Cc1ccccc1
Properties
Complexity:
157
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:
2.6
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