3-(1-Imidazolyl)benzaldehyde - CAS 127404-22-2
Catalog: |
BB006798 |
Product Name: |
3-(1-Imidazolyl)benzaldehyde |
CAS: |
127404-22-2 |
Synonyms: |
3-(1-imidazolyl)benzaldehyde; 3-imidazol-1-ylbenzaldehyde |
IUPAC Name: | 3-imidazol-1-ylbenzaldehyde |
Description: | 3-(1-Imidazolyl)benzaldehyde (CAS# 127404-22-2) is a useful research chemical. |
Molecular Weight: | 172.18 |
Molecular Formula: | C10H8N2O |
Canonical SMILES: | C1=CC(=CC(=C1)N2C=CN=C2)C=O |
InChI: | InChI=1S/C10H8N2O/c13-7-9-2-1-3-10(6-9)12-5-4-11-8-12/h1-8H |
InChI Key: | CGTQCZGDVDTRDI-UHFFFAOYSA-N |
Boiling Point: | 356.9 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD09836178 |
LogP: | 1.68480 |
Publication Number | Title | Priority Date |
WO-2015088564-A1 | P2x4 receptor modulating compounds | 20131213 |
CA-2815179-A1 | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
EP-2638008-A1 | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
EP-2638008-B1 | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
JP-2013545744-A | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.063662883 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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