| CAS Number | 199664-70-5 |
| Catalog Number | AG002C9X(AGN-PC-0QQS01) |
| Chemical Name | Benzenepentanoic acid, 2-fluoro-δ-oxo- |
| IUPAC Name | 5-(2-fluorophenyl)-5-oxopentanoic acid |
| InChI | InChI=1S/C11H11FO3/c12-9-5-2-1-4-8(9)10(13)6-3-7-11(14)15/h1-2,4-5H,3,6-7H2,(H,14,15) |
| InChI Key | JLWPLUVEHPUZJI-UHFFFAOYSA-N |
| MDL Number | MFCD01320116 |
| Molecular Formula | C11H11FO3 |
| Molecular Weight | 210.2016 |
| SMILES | O=C(O)CCCC(C1=CC=CC=C1F)=O |
| Synonyms | 199664-70-5,
5-(2-FLUOROPHENYL)-5-OXOVALERIC ACID,
5-(2-fluorophenyl)-5-oxopentanoic acid,
SCHEMBL6383722,
CTK4E2854,
DTXSID70645341,
ZINC2378735,
6729AD,
7069c,
MFCD01320116,
AKOS016022407,
ACM199664705,
SC-94802,
Benzenepentanoic acid, 2-fluoro-delta-oxo-,
FT-0726432,
C11H11FO3,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.204g/mol |
| Monoisotopic Mass | 210.069g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number