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Home > Imidazoles > 698977-76-3
698977-76-3 | 2(3H)-Benzoxazolone, 6-(1H-imidazol-1-ylphenylmethyl)-
CAS No: 698977-76-3 Catalog No: AG0065RM MDL No:
Product Description
Catalog Number:
AG0065RM
Chemical Name:
2(3H)-Benzoxazolone, 6-(1H-imidazol-1-ylphenylmethyl)-
CAS Number:
698977-76-3
Molecular Formula:
C17H13N3O2
Molecular Weight:
291.3040
IUPAC Name:
6-[imidazol-1-yl(phenyl)methyl]-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C17H13N3O2/c21-17-19-14-7-6-13(10-15(14)22-17)16(20-9-8-18-11-20)12-4-2-1-3-5-12/h1-11,16H,(H,19,21)
InChI Key:
UZJSEWAZRQXSSF-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(o1)cc(cc2)C(n1cncc1)c1ccccc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.31g/mol
Monoisotopic Mass:
291.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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