| CAS Number | 880653-63-4 |
| Catalog Number | AG00GSTU(AGN-PC-0VIPQR) |
| Chemical Name | 3-(2-Chlorophenyl)-2-methylpropanoic acid |
| IUPAC Name | 3-(2-chlorophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C10H11ClO2/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13) |
| InChI Key | CBKRIEHLKJRGGM-UHFFFAOYSA-N |
| MDL Number | MFCD08445715 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | CC(C(O)=O)CC1=C(Cl)C=CC=C1 |
| Synonyms | 3-(2-Chloro-phenyl)-2-methyl-propionic acid,
3-(2-chlorophenyl)-2-methylpropanoic acid,
880653-63-4,
chlorobenzene-isobutyric acid,
SCHEMBL1454266,
CHEMBL4094941,
CTK7I4489,
DTXSID00460145,
1519AF,
AKOS000301654,
AKOS016050893,
MCULE-1157893995,
NE22846,
TR-045623,
BB 0217982,
ST50401693,
C10H11ClO2,
CID11252613,
3-(2-chlorophenyl)-2-methyl-propanoic Acid,
|
| Complexity | 182 |
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number