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Q94 hydrochloride , CAS No.1052076-77-3
AVAILABLE TO ORDER
Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Action Type
ANTAGONIST
Names and Identifiers
| Canonical Smiles | C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.Cl |
|---|---|
| IUPAC Name | 2-benzyl-1-[(4-chlorophenyl)methyl]benzimidazole;hydrochloride |
| InChIKey | WXIWQTVPWYFEHP-UHFFFAOYSA-N |
| INCHI | 1S/C21H17ClN2.ClH/c22-18-12-10-17(11-13-18)15-24-20-9-5-4-8-19(20)23-21(24)14-16-6-2-1-3-7-16;/h1-13H,14-15H2;1H |
| Isomeric SMILES | C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.Cl |
| PubChem CID | 16258217 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 369.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 368.085 Da |
| Monoisotopic Mass | 368.085 Da |
| Topological Polar Surface Area | 17.800 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 387.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
Solution Calculators
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