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Home > Imidazoles > 175136-52-4
175136-52-4 | 4H-Benzimidazol-4-one, 1,5,6,7-tetrahydro-1-hydroxy-2-phenyl-, oxime
CAS No: 175136-52-4 Catalog No: AG00209X MDL No:MFCD00168417
Product Description
Catalog Number:
AG00209X
Chemical Name:
4H-Benzimidazol-4-one, 1,5,6,7-tetrahydro-1-hydroxy-2-phenyl-, oxime
CAS Number:
175136-52-4
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
MDL Number:
MFCD00168417
IUPAC Name:
N-(1-hydroxy-2-phenyl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine
InChI:
InChI=1S/C13H13N3O2/c17-15-10-7-4-8-11-12(10)14-13(16(11)18)9-5-2-1-3-6-9/h1-3,5-6,17-18H,4,7-8H2
InChI Key:
FOTAKYZZXWKROI-UHFFFAOYSA-N
SMILES:
ON=C1CCCc2c1nc(n2O)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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