4-(4-Bromophenyl)-2-thiazoleacetonitrile - CAS 94833-31-5
Catalog: |
BB041559 |
Product Name: |
4-(4-Bromophenyl)-2-thiazoleacetonitrile |
CAS: |
94833-31-5 |
Synonyms: |
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetonitrile |
IUPAC Name: | 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetonitrile |
Description: | 4-(4-Bromophenyl)-2-thiazoleacetonitrile (CAS# 94833-31-5) is a useful research chemical. |
Molecular Weight: | 279.16 |
Molecular Formula: | C11H7BrN2S |
Canonical SMILES: | C1=CC(=CC=C1C2=CSC(=N2)CC#N)Br |
InChI: | InChI=1S/C11H7BrN2S/c12-9-3-1-8(2-4-9)10-7-15-11(14-10)5-6-13/h1-4,7H,5H2 |
InChI Key: | VBHJUUAUIGGAPS-UHFFFAOYSA-N |
Boiling Point: | 424 °C at 760 mmHg |
Density: | 1.552 g/cm3 |
Appearance: | White to brown powder or crystals |
MDL: | MFCD00551793 |
LogP: | 3.63868 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2016358242-A1 | N-substituted indole derivatives as PGE2 receptor modulators | 20151120 |
CA-3002610-A1 | N-substituted indole derivatives as pge2 receptor modulators | 20151120 |
EP-3377483-A1 | N-substituted indole derivatives as pge2 receptor modulators | 20151120 |
KR-20180081810-A | N-substituted indole derivatives as PGE2 receptor modulators | 20151120 |
TW-201726661-A | N-substituted anthracene derivatives as PGE2 receptor modulators | 20151120 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.95133 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.95133 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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