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114707-51-6

114707-51-6 | 1H-Imidazole, 1-[(5-bromo-2-benzofuranyl)phenylmethyl]-

CAS No: 114707-51-6 Catalog No: AG000F2W MDL No:

Product Description

Catalog Number:
AG000F2W
Chemical Name:
1H-Imidazole, 1-[(5-bromo-2-benzofuranyl)phenylmethyl]-
CAS Number:
114707-51-6
Molecular Formula:
C18H13BrN2O
Molecular Weight:
353.2126
IUPAC Name:
1-[(5-bromo-1-benzofuran-2-yl)-phenylmethyl]imidazole
InChI:
InChI=1S/C18H13BrN2O/c19-15-6-7-16-14(10-15)11-17(22-16)18(21-9-8-20-12-21)13-4-2-1-3-5-13/h1-12,18H
InChI Key:
NHZMMYPUEMYBRW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(o2)C(n1cncc1)c1ccccc1

Properties

Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.021g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.219g/mol
Monoisotopic Mass:
352.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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