2-(Hydroxymethyl)-5-bromobenzimidazole - CAS 540516-28-7
Catalog: |
BB028475 |
Product Name: |
2-(Hydroxymethyl)-5-bromobenzimidazole |
CAS: |
540516-28-7 |
Synonyms: |
(6-bromo-1H-benzimidazol-2-yl)methanol; (6-bromo-1H-benzimidazol-2-yl)methanol |
IUPAC Name: | (6-bromo-1H-benzimidazol-2-yl)methanol |
Description: | 2-(Hydroxymethyl)-5-bromobenzimidazole (CAS# 540516-28-7) is a useful research chemical. |
Molecular Weight: | 227.06 |
Molecular Formula: | C8H7BrN2O |
Canonical SMILES: | C1=CC2=C(C=C1Br)NC(=N2)CO |
InChI: | InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-3,12H,4H2,(H,10,11) |
InChI Key: | RXQCVQKHRKONLO-UHFFFAOYSA-N |
Boiling Point: | 465.5 °C at 760 mmHg |
Density: | 1.815 g/cm3 |
MDL: | MFCD03197450 |
LogP: | 1.81770 |
Publication Number | Title | Priority Date |
CN-106458923-B | Heterocyclic compound | 20140623 |
US-2015168415-A1 | Compounds and methods for analysis and synthesis of saccharide compounds | 20131212 |
AU-2014249003-A1 | Novel compounds and compositions for inhibition of FASN | 20130313 |
CA-2905751-A1 | Novel compounds and compositions for inhibition of fasn | 20130313 |
EP-2968316-A1 | Novel compounds and compositions for inhibition of fasn | 20130313 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.97418 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.97418 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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