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Home > Bromides > 1282516-66-8
1282516-66-8 | Phenol, 5-bromo-2-(1H-imidazol-2-yl)-
CAS No: 1282516-66-8 Catalog No: AG000XWD MDL No:
Product Description
Catalog Number:
AG000XWD
Chemical Name:
Phenol, 5-bromo-2-(1H-imidazol-2-yl)-
CAS Number:
1282516-66-8
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
IUPAC Name:
5-bromo-2-(1H-imidazol-2-yl)phenol
InChI:
InChI=1S/C9H7BrN2O/c10-6-1-2-7(8(13)5-6)9-11-3-4-12-9/h1-5,13H,(H,11,12)
InChI Key:
DMARJHVWFFDMSN-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)O)c1ncc[nH]1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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