1-(4-Bromo-3-fluorophenyl)cyclopropanecarbonitrile - CAS 749269-73-6
Catalog: |
BB035191 |
Product Name: |
1-(4-Bromo-3-fluorophenyl)cyclopropanecarbonitrile |
CAS: |
749269-73-6 |
Synonyms: |
1-(4-bromo-3-fluorophenyl)-1-cyclopropanecarbonitrile; 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carbonitrile |
IUPAC Name: | 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carbonitrile |
Description: | 1-(4-Bromo-3-fluorophenyl)cyclopropanecarbonitrile (CAS# 749269-73-6) is a useful research chemical. |
Molecular Weight: | 240.07 |
Molecular Formula: | C10H7BrFN |
Canonical SMILES: | C1CC1(C#N)C2=CC(=C(C=C2)Br)F |
InChI: | InChI=1S/C10H7BrFN/c11-8-2-1-7(5-9(8)12)10(6-13)3-4-10/h1-2,5H,3-4H2 |
InChI Key: | KVWJVBSLLYGPIM-UHFFFAOYSA-N |
LogP: | 3.14338 |
Publication Number | Title | Priority Date |
CN-110590548-A | AKR1C3 inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof | 20190906 |
CN-110590548-B | AKR1C3 inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof | 20190906 |
WO-2021042411-A1 | Akr1c3 inhibitor or pharmaceutically acceptable salt of same, preparation method for same, and uses thereof | 20190906 |
US-10669272-B2 | Substituted naphthyridinone compounds useful as T cell activators | 20180627 |
US-2020109140-A1 | Substituted naphthyridinone compounds useful as t cell activators | 20180627 |
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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