4-Bromo-5-thiazolecarbonitrile - CAS 1367964-98-4
Catalog: |
BB055292 |
Product Name: |
4-Bromo-5-thiazolecarbonitrile |
CAS: |
1367964-98-4 |
Synonyms: |
4-Bromothiazole-5-carbonitrile; 4-bromo-1,3-thiazole-5-carbonitrile |
IUPAC Name: | 4-bromo-1,3-thiazole-5-carbonitrile |
Molecular Weight: | 189.03 |
Molecular Formula: | C4HBrN2S |
Canonical SMILES: | C1=NC(=C(S1)C#N)Br |
InChI: | InChI=1S/C4HBrN2S/c5-4-3(1-6)8-2-7-4/h2H |
InChI Key: | GTEMTZDTAHQBER-UHFFFAOYSA-N |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.90438 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.90438 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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