3-(4-Bromophenyl)-2-cyano-2-propenoic Acid - CAS 339548-64-0
Catalog: |
BB071193 |
Product Name: |
3-(4-Bromophenyl)-2-cyano-2-propenoic Acid |
CAS: |
339548-64-0 |
Synonyms: |
(E)-3-(4-Bromophenyl)-2-cyanoacrylic acid; 3-(4-Bromophenyl)-2-cyanoacrylic acid; (E)-3-(4-bromophenyl)-2-cyanoprop-2-enoic acid; 3-(4-bromophenyl)-2-cyanoprop-2-enoic acid |
IUPAC Name: | (E)-3-(4-bromophenyl)-2-cyanoprop-2-enoic acid |
Molecular Weight: | 252.06 |
Molecular Formula: | C10H6BrNO2 |
Canonical SMILES: | C1=CC(=CC=C1C=C(C#N)C(=O)O)Br |
InChI: | InChI=1S/C10H6BrNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+ |
InChI Key: | REWONLOPJHWIMK-VMPITWQZSA-N |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 250.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.95819 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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