5-Bromo-2-methylbenzonitrile - CAS 156001-51-3
Catalog: |
BB011191 |
Product Name: |
5-Bromo-2-methylbenzonitrile |
CAS: |
156001-51-3 |
Synonyms: |
5-bromo-2-methylbenzonitrile |
IUPAC Name: | 5-bromo-2-methylbenzonitrile |
Description: | 5-Bromo-2-methylbenzonitrile (CAS# 156001-51-3) is a useful research chemical. |
Molecular Weight: | 196.04 |
Molecular Formula: | C8H6BrN |
Canonical SMILES: | CC1=C(C=C(C=C1)Br)C#N |
InChI: | InChI=1S/C8H6BrN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3 |
InChI Key: | WNVUTFDOGUGEIS-UHFFFAOYSA-N |
Boiling Point: | 250.6 °C at 760 mmHg |
Density: | 1.51 g/cm3 |
MDL: | MFCD08061920 |
LogP: | 2.62918 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112457265-A | Tetrazole derivative, preparation method thereof, pharmaceutical composition containing tetrazole derivative and application of pharmaceutical composition | 20201106 |
WO-2021102896-A1 | Organic compounds | 20191129 |
WO-2021105261-A1 | Trpm8 modulators | 20191129 |
WO-2021067606-A1 | Brm targeting compounds and associated methods of use | 20191001 |
WO-2021045466-A1 | Compound, core-shell dye, photosensitive resin composition including same, and color filter | 20190904 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.96836 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.96836 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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