| CAS Number | 1314709-94-8 |
| Catalog Number | AG01B9X1 |
| Chemical Name | 1-(3-Bromo-5-fluorophenyl)cyclopropane-1-carbonitrile |
| IUPAC Name | 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C10H7BrFN/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2H2 |
| InChI Key | WBZLQZLPTLUQKG-UHFFFAOYSA-N |
| MDL Number | MFCD19692068 |
| Molecular Formula | C10H7BrFN |
| Molecular Weight | 240.0717 |
| SMILES | N#CC1(C2=CC(F)=CC(Br)=C2)CC1 |
| Synonyms | 1-(3-BROMO-5-FLUOROPHENYL)CYCLOPROPANE-1-CARBONITRILE,
1314709-94-8,
1-(3-Bromo-5-fluorophenyl)cyclopropanecarbonitrile,
SCHEMBL19950462,
MFCD19692068,
ZINC95642956,
FCH1359944,
AS-41483,
EN300-207099,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.075g/mol |
| Monoisotopic Mass | 238.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number