4-Chloro-3-hydroxybenzonitrile - CAS 51748-01-7
Catalog: |
BB069687 |
Product Name: |
4-Chloro-3-hydroxybenzonitrile |
CAS: |
51748-01-7 |
Synonyms: |
4-CHLORO-3-HYDROXYBENZONITRILE; BENZONITRILE, 4-CHLORO-3-HYDROXY-; 2-CHLORO-5-CYANOPHENOL; Benzonitrile, 4-chloro-3-hydroxy- |
IUPAC Name: | 4-chloro-3-hydroxybenzonitrile |
Description: | 4-Chloro-3-hydroxybenzonitrile |
Molecular Weight: | 153.57 |
Molecular Formula: | C7H4ClNO |
Canonical SMILES: | C1=CC(=C(C=C1C#N)O)Cl |
InChI: | InChI=1S/C7H4ClNO/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H |
InChI Key: | KRDRCVJCTNBELJ-UHFFFAOYSA-N |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.9981414 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.9981414 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 44Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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