(2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid - CAS 1099670-06-0
Catalog: |
BB071667 |
Product Name: |
(2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid |
CAS: |
1099670-06-0 |
Synonyms: |
(2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid; (2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoicacid |
IUPAC Name: | (E)-3-(4-bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid |
Description: | (2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid |
Molecular Weight: | 270.06 |
Molecular Formula: | C10H5BrFNO2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)F)C=C(C#N)C(=O)O |
InChI: | InChI=1S/C10H5BrFNO2/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H,14,15)/b7-3+ |
InChI Key: | RFHPRXIRNOINHK-XVNBXDOJSA-N |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 268.94877 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.94877 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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