| CAS Number | 1012-17-5 |
| Catalog Number | AG008SAP(AGN-PC-0OQGOI) |
| Chemical Name | 3-(4-Chlorophenyl)-2-methylpropionic acid |
| IUPAC Name | 3-(4-chlorophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C10H11ClO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,12,13) |
| InChI Key | DFLJNMPGPGFGBR-UHFFFAOYSA-N |
| MDL Number | MFCD08445717 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | CC(C(O)=O)CC1=CC=C(Cl)C=C1 |
| Synonyms | 3-(4-Chloro-phenyl)-2-methyl-propionic acid,
1012-17-5,
3-(4-chlorophenyl)-2-methylpropanoic acid,
SCHEMBL2555902,
CTK6A3302,
DTXSID90624118,
DFLJNMPGPGFGBR-UHFFFAOYSA-N,
7328AC,
AKOS000345403,
AKOS016050883,
MCULE-1280505558,
NE36740,
NS-02010,
2-methyl-3-(4-chlorophenyl)propionic acid,
TR-045625,
2-methyl-3-(4-chlorophenyl) propionic acid,
BB 0217983,
C10H11ClO2,
2-(4-Chlorobenzyl)propanoic acid,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.646g/mol |
| Monoisotopic Mass | 198.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number