4-Bromo-2-(hydroxymethyl)-6-methylbenzimidazole - CAS 1352519-72-2
Catalog: |
BB008116 |
Product Name: |
4-Bromo-2-(hydroxymethyl)-6-methylbenzimidazole |
CAS: |
1352519-72-2 |
Synonyms: |
(4-bromo-6-methyl-1H-benzimidazol-2-yl)methanol; (4-bromo-6-methyl-1H-benzimidazol-2-yl)methanol |
IUPAC Name: | (4-bromo-6-methyl-1H-benzimidazol-2-yl)methanol |
Description: | 4-Bromo-2-(hydroxymethyl)-6-methylbenzimidazole (CAS# 1352519-72-2 ) is a useful research chemical. |
Molecular Weight: | 241.08 |
Molecular Formula: | C9H9BrN2O |
Canonical SMILES: | CC1=CC2=C(C(=C1)Br)N=C(N2)CO |
InChI: | InChI=1S/C9H9BrN2O/c1-5-2-6(10)9-7(3-5)11-8(4-13)12-9/h2-3,13H,4H2,1H3,(H,11,12) |
InChI Key: | DVUCUWXATJDJGN-UHFFFAOYSA-N |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.98983 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.98983 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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