5-Chloro-2-(hydroxymethyl)benzimidazole - CAS 6953-65-7
Catalog: |
BB033861 |
Product Name: |
5-Chloro-2-(hydroxymethyl)benzimidazole |
CAS: |
6953-65-7 |
Synonyms: |
(6-chloro-1H-benzimidazol-2-yl)methanol; (6-chloro-1H-benzimidazol-2-yl)methanol |
IUPAC Name: | (6-chloro-1H-benzimidazol-2-yl)methanol |
Description: | 5-Chloro-2-(hydroxymethyl)benzimidazole (CAS# 6953-65-7) is a useful research chemical. |
Molecular Weight: | 182.61 |
Molecular Formula: | C8H7ClN2O |
Canonical SMILES: | C1=CC2=C(C=C1Cl)NC(=N2)CO |
InChI: | InChI=1S/C8H7ClN2O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-3,12H,4H2,(H,10,11) |
InChI Key: | NIWRFQPRPJVQLO-UHFFFAOYSA-N |
Boiling Point: | 443.9 °C at 760 mmHg |
Density: | 1.51 g/cm3 |
Solubility: | >27.4 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD09971879 |
LogP: | 1.70860 |
Publication Number | Title | Priority Date |
US-2020269194-A1 | Porous membrane containing metal-organic frameworks | 20190226 |
AU-2015248936-A1 | Spiro urea compounds as RSV antiviral compounds | 20140414 |
AU-2015248936-B2 | Spiro urea compounds as RSV antiviral compounds | 20140414 |
CA-2943144-A1 | Spiro urea compounds as rsv antiviral compounds | 20140414 |
EP-3131905-A1 | Spiro urea compounds as rsv antiviral compounds | 20140414 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0246905 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0246905 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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