(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile - CAS 157764-03-9
Catalog: |
BB073132 |
Product Name: |
(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile |
CAS: |
157764-03-9 |
Synonyms: |
5-Chloro-2-benzothiazoleacetonitrile |
IUPAC Name: | 2-(5-chloro-1,3-benzothiazol-2-yl)acetonitrile |
Description: | (5-chloro-1,3-benzothiazol-2-yl)acetonitrile (cas# 157764-03-9) is a useful research chemical. |
Molecular Weight: | 208.66 |
Molecular Formula: | C9H5N2SCl |
Canonical SMILES: | C1=CC2=C(C=C1Cl)N=C(S2)CC#N |
InChI: | InChI=1S/C9H5ClN2S/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11/h1-2,5H,3H2 |
InChI Key: | GCOTWHHKZPEEEV-UHFFFAOYSA-N |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.986197 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.986197 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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