2-[(7-Bromo-2,1,3-benzothiadiazol-4-yl)methylene]propanedinitrile - CAS 1335150-10-1
Catalog: |
BB072332 |
Product Name: |
2-[(7-Bromo-2,1,3-benzothiadiazol-4-yl)methylene]propanedinitrile |
CAS: |
1335150-10-1 |
Synonyms: |
4-bromo-7-(2,2-dicyanovinyl)-2,1,3-benzothiadiazole; 2-((7-Bromobenzo[c][1,2,5]thiadiazol-4-yl)methylene)malononitrile; 2-[(4-bromo-2,1,3-benzothiadiazol-7-yl)methylidene]propanedinitrile; 2-[(7-Bromo-2,1,3-benzothiadiazol-4-yl)methylene]malononitrile |
IUPAC Name: | 2-[(4-bromo-2,1,3-benzothiadiazol-7-yl)methylidene]propanedinitrile |
Molecular Weight: | 291.13 |
Molecular Formula: | C10H3BrN4S |
Canonical SMILES: | C1=C(C2=NSN=C2C(=C1)Br)C=C(C#N)C#N |
InChI: | InChI=1S/C10H3BrN4S/c11-8-2-1-7(3-6(4-12)5-13)9-10(8)15-16-14-9/h1-3H |
InChI Key: | ZNWYPDKJWGLSQU-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 386 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.92618 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.92618 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 102Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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