| CAS Number | 68449-31-0 |
| Catalog Number | AG00FHH6(AGN-PC-007GDS) |
| Chemical Name | 4-(2-chloro-phenyl)-butyric acid |
| IUPAC Name | 4-(2-chlorophenyl)butanoic acid |
| InChI | InChI=1S/C10H11ClO2/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h1-2,4,6H,3,5,7H2,(H,12,13) |
| InChI Key | JNJQMOCBSVJQSM-UHFFFAOYSA-N |
| MDL Number | MFCD00624878 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | c1ccc(c(c1)CCCC(=O)O)Cl |
| Synonyms | 4-(2-chlorophenyl)butanoic Acid,
68449-31-0,
4-(2-CHLORO-PHENYL)-BUTYRIC ACID,
2-Chloro-benzenebutanoic acid,
SCHEMBL2316238,
JNJQMOCBSVJQSM-UHFFFAOYSA-N,
ZINC3013292,
AKOS013529304,
MCULE-6520890001,
NE59181,
BC657171,
NS-02013,
Z2168282739,
CID11356083,
|
| Complexity | 170 |
| 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 | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number