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127702-53-8 | 1H-Imidazole, 2-(5-bromo-2-furanyl)-1-methyl-
CAS No: 127702-53-8 Catalog No: AG000XBH MDL No:
Product Description
Catalog Number:
AG000XBH
Chemical Name:
1H-Imidazole, 2-(5-bromo-2-furanyl)-1-methyl-
CAS Number:
127702-53-8
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
IUPAC Name:
2-(5-bromofuran-2-yl)-1-methylimidazole
InChI:
InChI=1S/C8H7BrN2O/c1-11-5-4-10-8(11)6-2-3-7(9)12-6/h2-5H,1H3
InChI Key:
YTOYNGHIXYTABU-UHFFFAOYSA-N
SMILES:
Brc1ccc(o1)c1nccn1C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.061g/mol
Monoisotopic Mass:
225.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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