| CAS Number | 1219019-02-9 |
| Catalog Number | AG0016CP(AGN-PC-0WNGXA) |
| Chemical Name | Cyclobutaneacetonitrile, 3,3-difluoro- |
| IUPAC Name | 2-(3,3-difluorocyclobutyl)acetonitrile |
| InChI | InChI=1S/C6H7F2N/c7-6(8)3-5(4-6)1-2-9/h5H,1,3-4H2 |
| InChI Key | GCUBKZXHAKEOKP-UHFFFAOYSA-N |
| MDL Number | MFCD24856416 |
| Molecular Formula | C6H7F2N |
| Molecular Weight | 131.1233 |
| SMILES | N#CCC1CC(F)(F)C1 |
| Synonyms | 2-(3,3-difluorocyclobutyl)acetonitrile,
1219019-02-9,
SCHEMBL2306469,
GCUBKZXHAKEOKP-UHFFFAOYSA-N,
KS-000006DI,
MFCD24856416,
AKOS024194668,
ZINC118601989,
Cyclobutaneacetonitrile, 3,3-difluoro-,
SB22292,
AS-52983,
CS-0052294,
F2147-5137,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.126g/mol |
| Monoisotopic Mass | 131.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number