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477850-47-8 | 3-{2-[4-(1H-imidazol-1-yl)phenyl]-2-oxoethyl}-1,3-dihydro-2-benzofuran-1-one
CAS No: 477850-47-8 Catalog No: AG00ITW2 MDL No:MFCD00127083
Product Description
Catalog Number:
AG00ITW2
Chemical Name:
3-{2-[4-(1H-imidazol-1-yl)phenyl]-2-oxoethyl}-1,3-dihydro-2-benzofuran-1-one
CAS Number:
477850-47-8
Molecular Formula:
C19H14N2O3
Molecular Weight:
318.3261
MDL Number:
MFCD00127083
IUPAC Name:
3-[2-(4-imidazol-1-ylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
InChI:
InChI=1S/C19H14N2O3/c22-17(11-18-15-3-1-2-4-16(15)19(23)24-18)13-5-7-14(8-6-13)21-10-9-20-12-21/h1-10,12,18H,11H2
InChI Key:
HLWOWIHNAUCDDA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)n1cncc1)CC1OC(=O)c2c1cccc2
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.332g/mol
Monoisotopic Mass:
318.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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