3-Chloro-2-cyanothiophene - CAS 147123-67-9
Catalog: |
BB076876 |
Product Name: |
3-Chloro-2-cyanothiophene |
CAS: |
147123-67-9 |
Synonyms: |
2-Thiophenecarbonitrile, 3-chloro-; 2-Cyano-3-chlorothiophene; 3-Chloro-2-thiophenecarbonitrile |
IUPAC Name: | 3-chlorothiophene-2-carbonitrile |
Molecular Weight: | 143.59 |
Molecular Formula: | C5H2ClNS |
Canonical SMILES: | C1=CSC(=C1Cl)C#N |
InChI: | InChI=1S/C5H2ClNS/c6-4-1-2-8-5(4)3-7/h1-2H |
InChI Key: | FPGDDWCTBDGPAD-UHFFFAOYSA-N |
Boiling Point: | 243.7±20.0°C at 760 mmHg |
Purity: | 95% |
Density: | 1.4±0.1 g/cm3 |
Storage: | Store at RT |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.9596479 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.9596479 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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