2,3-Difluoro-5-methylbenzonitrile - CAS 1003712-18-2
Catalog: |
BB000206 |
Product Name: |
2,3-Difluoro-5-methylbenzonitrile |
CAS: |
1003712-18-2 |
Synonyms: |
2,3-difluoro-5-methylbenzonitrile; 2,3-difluoro-5-methylbenzonitrile |
IUPAC Name: | 2,3-difluoro-5-methylbenzonitrile |
Description: | 2,3-Difluoro-5-methylbenzonitrile (CAS# 1003712-18-2 ) is a useful research chemical. |
Molecular Weight: | 153.13 |
Molecular Formula: | C8H5F2N |
Canonical SMILES: | CC1=CC(=C(C(=C1)C#N)F)F |
InChI: | InChI=1S/C8H5F2N/c1-5-2-6(4-11)8(10)7(9)3-5/h2-3H,1H3 |
InChI Key: | YHCHCXBCEMMYSF-UHFFFAOYSA-N |
Appearance: | Liquid |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.14488 |
Publication Number | Title | Priority Date |
AU-2010233932-A1 | Oxadiazole derivatives | 20090403 |
AU-2010233932-B2 | Oxadiazole derivatives | 20090403 |
CA-2755918-A1 | Oxadiazole derivatives | 20090403 |
CA-2755918-C | Oxadiazole derivatives | 20090403 |
EP-2414341-A2 | Oxadiazole derivatives | 20090403 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.03900549 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.03900549 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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