5-Chloro-2-formylbenzonitrile - CAS 77532-88-8
Catalog: |
BB035979 |
Product Name: |
5-Chloro-2-formylbenzonitrile |
CAS: |
77532-88-8 |
Synonyms: |
5-chloro-2-formylbenzonitrile; 5-chloro-2-formylbenzonitrile |
IUPAC Name: | 5-chloro-2-formylbenzonitrile |
Description: | 5-Chloro-2-formylbenzonitrile (CAS# 77532-88-8) is a useful research chemical compound. |
Molecular Weight: | 165.58 |
Molecular Formula: | C8H4ClNO |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C#N)C=O |
InChI: | InChI=1S/C8H4ClNO/c9-8-2-1-6(5-11)7(3-8)4-10/h1-3,5H |
InChI Key: | PAYXNEOSNJICEG-UHFFFAOYSA-N |
LogP: | 2.02418 |
Publication Number | Title | Priority Date |
CN-112624957-A | Synthetic method of 3-alkyl isoindolinone derivatives | 20210205 |
WO-2021119753-A1 | Compounds | 20191218 |
CN-108250127-A | A kind of preparation method of isoindoline ketone compound and its derivative | 20180115 |
CN-108250127-B | Preparation method of isoindolinone compounds and derivatives thereof | 20180115 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.9981414 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.9981414 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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