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137241-59-9 | 1H-Imidazole, 1-[(7-bromo-2,3-dimethyl-4-benzofuranyl)methyl]-
CAS No: 137241-59-9 Catalog No: AG0012ZO MDL No:
Product Description
Catalog Number:
AG0012ZO
Chemical Name:
1H-Imidazole, 1-[(7-bromo-2,3-dimethyl-4-benzofuranyl)methyl]-
CAS Number:
137241-59-9
Molecular Formula:
C14H13BrN2O
Molecular Weight:
305.1698
IUPAC Name:
1-[(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)methyl]imidazole
InChI:
InChI=1S/C14H13BrN2O/c1-9-10(2)18-14-12(15)4-3-11(13(9)14)7-17-6-5-16-8-17/h3-6,8H,7H2,1-2H3
InChI Key:
WEAMEVVDEDZRBS-UHFFFAOYSA-N
SMILES:
Cc1oc2c(c1C)c(ccc2Br)Cn1cncc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.021g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.175g/mol
Monoisotopic Mass:
304.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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