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Home > Imidazoles > 121852-08-2
121852-08-2 | Phenol, 4-[2-(1H-benzimidazol-2-yl)ethenyl]-
CAS No: 121852-08-2 Catalog No: AG001653 MDL No:
Product Description
Catalog Number:
AG001653
Chemical Name:
Phenol, 4-[2-(1H-benzimidazol-2-yl)ethenyl]-
CAS Number:
121852-08-2
Molecular Formula:
C15H12N2O
Molecular Weight:
236.2686
IUPAC Name:
4-[2-(1H-benzimidazol-2-yl)ethenyl]phenol
InChI:
InChI=1S/C15H12N2O/c18-12-8-5-11(6-9-12)7-10-15-16-13-3-1-2-4-14(13)17-15/h1-10,18H,(H,16,17)
InChI Key:
RTGDJFAWINXOHF-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C=Cc1nc2c([nH]1)cccc2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.274g/mol
Monoisotopic Mass:
236.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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