CAS 6504-13-8 | 4-(1H-BENZOIMIDAZOL-2-YL)-PHENOL | CAS Number 6504-13-8

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6504-13-8 | 4-(1H-BENZOIMIDAZOL-2-YL)-PHENOL

CAS No: 6504-13-8 Catalog No: AG00EJAD MDL No:MFCD00230532

Product Description

Catalog Number:

AG00EJAD

Chemical Name:

4-(1H-BENZOIMIDAZOL-2-YL)-PHENOL

CAS Number:

6504-13-8

Molecular Formula:

C13H10N2O

Molecular Weight:

210.2313

MDL Number:

MFCD00230532

IUPAC Name:

4-(1H-benzimidazol-2-yl)phenol

InChI:

InChI=1S/C13H10N2O/c16-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)15-13/h1-8,16H,(H,14,15)

InChI Key:

REOGMBVECOGANJ-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1)c1nc2c([nH]1)cccc2

Properties

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.236g/mol

Monoisotopic Mass:

210.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

48.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
A fluorescent probe for biothiols based on the conjugate addition of thiols to α,β-unsaturated ester.	Luminescence : the journal of biological and chemical luminescence 20110101
1H-Benzimidazole derivatives as mammalian DNA topoisomerase I inhibitors.	Acta biochimica Polonica 20070101