5-Bromo-2,2'-bithiophene-5'-carbonitrile - CAS 176787-96-5
Catalog: |
BB072316 |
Product Name: |
5-Bromo-2,2'-bithiophene-5'-carbonitrile |
CAS: |
176787-96-5 |
Synonyms: |
5'-bromo-[2,2'-bithiophene]-5-carbonitrile; 5-(5-bromothiophen-2-yl)thiophene-2-carbonitrile; 5'-bromo-2,2'-bithiophene-5-carbonitrile |
IUPAC Name: | 5-(5-bromothiophen-2-yl)thiophene-2-carbonitrile |
Molecular Weight: | 270.17 |
Molecular Formula: | C9H4BrNS2 |
Canonical SMILES: | C1=C(SC(=C1)C2=CC=C(S2)Br)C#N |
InChI: | InChI=1S/C9H4BrNS2/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-4H |
InChI Key: | OHVCHDZJRUEOKH-UHFFFAOYSA-N |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.89685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.89685 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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