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104992-04-3 | Phenol, 2-[[(1H-benzimidazol-2-ylmethyl)imino]methyl]-
CAS No: 104992-04-3 Catalog No: AG007X5Q MDL No:
Product Description
Catalog Number:
AG007X5Q
Chemical Name:
Phenol, 2-[[(1H-benzimidazol-2-ylmethyl)imino]methyl]-
CAS Number:
104992-04-3
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
IUPAC Name:
2-(1H-benzimidazol-2-ylmethyliminomethyl)phenol
InChI:
InChI=1S/C15H13N3O/c19-14-8-4-1-5-11(14)9-16-10-15-17-12-6-2-3-7-13(12)18-15/h1-9,19H,10H2,(H,17,18)
InChI Key:
LLOFTSLVDSQRBO-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C=NCc1nc2c([nH]1)cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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