4-bromo-2-cyanobenzaldehyde - CAS 523977-64-2
Catalog: |
BB027811 |
Product Name: |
4-bromo-2-cyanobenzaldehyde |
CAS: |
523977-64-2 |
Synonyms: |
5-bromo-2-formylbenzonitrile; 5-bromo-2-formylbenzonitrile |
IUPAC Name: | 5-bromo-2-formylbenzonitrile |
Description: | 4-bromo-2-cyanobenzaldehyde (CAS# 523977-64-2) is a useful research chemical. |
Molecular Weight: | 210.03 |
Molecular Formula: | C8H4BrNO |
Canonical SMILES: | C1=CC(=C(C=C1Br)C#N)C=O |
InChI: | InChI=1S/C8H4BrNO/c9-8-2-1-6(5-11)7(3-8)4-10/h1-3,5H |
InChI Key: | ZIMYDLFCAWTIMY-UHFFFAOYSA-N |
Boiling Point: | 324 ℃ |
Purity: | 95 % |
Density: | 1.65 g/cm3 |
MDL: | MFCD09261030 |
LogP: | 2.13328 |
Publication Number | Title | Priority Date |
BR-102019002873-A2 | pd-1 / pd-l1 inhibitors | 20180213 |
US-2019270727-A1 | Pd-1/pd-l1 inhibitors | 20180213 |
WO-2019160882-A1 | Pd-1/pd-l1 inhibitors | 20180213 |
AU-2019222644-A1 | PD-1/PD-L1 inhibitors | 20180213 |
CN-111712494-A | PD-1/PD-L1 inhibitors | 20180213 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.94763 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.94763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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