| CAS Number | 536742-69-5 |
| Catalog Number | AG00DCRL(AGN-PC-03XYAZ) |
| Chemical Name | 1-(4-Fluorophenyl)pyrrolidin-3-one |
| IUPAC Name | 1-(4-fluorophenyl)pyrrolidin-3-one |
| InChI | InChI=1S/C10H10FNO/c11-8-1-3-9(4-2-8)12-6-5-10(13)7-12/h1-4H,5-7H2 |
| InChI Key | AJNISUOPOAVWCL-UHFFFAOYSA-N |
| MDL Number | MFCD09055337 |
| Molecular Formula | C10H10FNO |
| Molecular Weight | 179.1909 |
| SMILES | N1(CCC(=O)C1)C1C=CC(=CC=1)F |
| Synonyms | 1-(4-Fluorophenyl)pyrrolidin-3-one,
536742-69-5,
1-(4-fluorophenyl)-3-pyrrolidinone,
3-Pyrrolidinone, 1-(4-fluorophenyl)-,
SCHEMBL568685,
CTK4J8576,
DTXSID30630076,
MFCD09055337,
ZINC19090414,
AKOS009455552,
MCULE-7140904332,
AJ-71408,
DA-05108,
FT-0707144,
Y-5158,
1-(4-Fluorophenyl)pyrrolidin-3-one, AldrichCPR,
1- PYRROLIDIN-3-ONE,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.194g/mol |
| Monoisotopic Mass | 179.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
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\N
|
|
Hazard statements
|
H302
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number