| CAS Number | 118507-45-2 |
| Catalog Number | AG000IYK(AGN-PC-0000KJ) |
| Chemical Name | Benzoic acid, 4-(fluoromethyl)- |
| IUPAC Name | 4-(fluoromethyl)benzoic acid |
| InChI | InChI=1S/C8H7FO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11) |
| InChI Key | QADXJCSDQCVCIS-UHFFFAOYSA-N |
| MDL Number | MFCD20482169 |
| Molecular Formula | C8H7FO2 |
| Molecular Weight | 154.1384 |
| SMILES | C(=O)(O)c1ccc(cc1)CF |
| Synonyms | 4-(Fluoromethyl)benzoic Acid,
118507-45-2,
Benzoic acid, 4-(fluoromethyl)-,
ACMC-20mnuj,
SCHEMBL2998259,
CTK0C4449,
DTXSID40553762,
QADXJCSDQCVCIS-UHFFFAOYSA-N,
MFCD20482169,
ZINC34201701,
AKOS023602795,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.14g/mol |
| Monoisotopic Mass | 154.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number