| CAS Number | 915190-94-2 |
| Catalog Number | AG00IL8W(AGN-PC-08XTD3) |
| Chemical Name | 3,3-difluoro-2-phenylazetidine |
| IUPAC Name | 3,3-difluoro-2-phenylazetidine |
| InChI | InChI=1S/C9H9F2N/c10-9(11)6-12-8(9)7-4-2-1-3-5-7/h1-5,8,12H,6H2 |
| InChI Key | SXIWYYFFWQSQIJ-UHFFFAOYSA-N |
| MDL Number | MFCD16990705 |
| Molecular Formula | C9H9F2N |
| Molecular Weight | 169.1713 |
| SMILES | FC1(C(C2=CC=CC=C2)NC1)F |
| Synonyms | 3,3-difluoro-2-phenylazetidine,
EN300-89538,
915190-94-2,
AC1Q4KXT,
SCHEMBL19471123,
FCH1120646,
CS-0051633,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.175g/mol |
| Monoisotopic Mass | 169.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number