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101901-58-0 | 1H-Imidazole, 2,4,5-tribromo-1-[(4-methoxyphenyl)methyl]-
CAS No: 101901-58-0 Catalog No: AG0005VN MDL No:
Product Description
Catalog Number:
AG0005VN
Chemical Name:
1H-Imidazole, 2,4,5-tribromo-1-[(4-methoxyphenyl)methyl]-
CAS Number:
101901-58-0
Molecular Formula:
C11H9Br3N2O
Molecular Weight:
424.9140
IUPAC Name:
2,4,5-tribromo-1-[(4-methoxyphenyl)methyl]imidazole
InChI:
InChI=1S/C11H9Br3N2O/c1-17-8-4-2-7(3-5-8)6-16-10(13)9(12)15-11(16)14/h2-5H,6H2,1H3
InChI Key:
DPDZWBOJMFBQTD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1c(Br)nc(c1Br)Br
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.824g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.918g/mol
Monoisotopic Mass:
421.827g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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