| CAS Number | 1342025-16-4 |
| Catalog Number | AG00HT9C |
| Chemical Name | 2-(Cyclopropylmethoxy)-5-fluorobenzonitrile |
| IUPAC Name | 2-(cyclopropylmethoxy)-5-fluorobenzonitrile |
| InChI | InChI=1S/C11H10FNO/c12-10-3-4-11(9(5-10)6-13)14-7-8-1-2-8/h3-5,8H,1-2,7H2 |
| InChI Key | MWRGKVOKHWPFFT-UHFFFAOYSA-N |
| MDL Number | MFCD18860667 |
| Molecular Formula | C11H10FNO |
| Molecular Weight | 191.2016 |
| SMILES | N#Cc1cc(F)ccc1OCC1CC1 |
| Synonyms | 2-(cyclopropylmethoxy)-5-fluorobenzonitrile,
1342025-16-4,
ZINC82522826,
AKOS012978977,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.205g/mol |
| Monoisotopic Mass | 191.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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