1-(4-Bromo-2-fluorophenyl)cyclopropanecarbonitrile - CAS 749928-88-9
Catalog: |
BB035213 |
Product Name: |
1-(4-Bromo-2-fluorophenyl)cyclopropanecarbonitrile |
CAS: |
749928-88-9 |
Synonyms: |
1-(4-bromo-2-fluorophenyl)-1-cyclopropanecarbonitrile; 1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile |
IUPAC Name: | 1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile |
Description: | 1-(4-Bromo-2-fluorophenyl)cyclopropanecarbonitrile (CAS# 749928-88-9) is a useful research chemical. |
Molecular Weight: | 240.07 |
Molecular Formula: | C10H7BrFN |
Canonical SMILES: | C1CC1(C#N)C2=C(C=C(C=C2)Br)F |
InChI: | InChI=1S/C10H7BrFN/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10/h1-2,5H,3-4H2 |
InChI Key: | FLVJVGSVWLFBRZ-UHFFFAOYSA-N |
LogP: | 3.14338 |
Publication Number | Title | Priority Date |
WO-2018098499-A1 | Compounds and their methods of use | 20161128 |
US-2014213538-A1 | Lysophosphatidic acid receptor antagonists | 20130115 |
AU-2013279513-A1 | N-aryltriazole compounds as LPAR antagonists | 20120620 |
CA-2869564-A1 | N-aryltriazole compounds as lpar antagonists | 20120620 |
EP-2864301-A1 | N-aryltriazole compounds as lpar antagonists | 20120620 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.97459 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.97459 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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