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Home > Bromides > 1333851-81-2
1333851-81-2 | 1-(2-Bromo-5-fluorobenzyl)imidazole
CAS No: 1333851-81-2 Catalog No: AG01ES8J MDL No:
Product Description
Catalog Number:
AG01ES8J
Chemical Name:
1-(2-Bromo-5-fluorobenzyl)imidazole
CAS Number:
1333851-81-2
Molecular Formula:
C10H8BrFN2
Molecular Weight:
255.0863
IUPAC Name:
1-[(2-bromo-5-fluorophenyl)methyl]imidazole
InChI:
InChI=1S/C10H8BrFN2/c11-10-2-1-9(12)5-8(10)6-14-4-3-13-7-14/h1-5,7H,6H2
InChI Key:
TXOVKEIYBSHLFR-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cn1cncc1)Br
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.09g/mol
Monoisotopic Mass:
253.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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