| CAS Number | 81682-39-5 |
| Catalog Number | AG00ID7C(AGN-PC-0L7QIO) |
| Chemical Name | (2-Chloro-5-methylphenyl)acetic acid |
| IUPAC Name | 2-(2-chloro-5-methylphenyl)acetic acid |
| InChI | InChI=1S/C9H9ClO2/c1-6-2-3-8(10)7(4-6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChI Key | JRLYJSVLGHEJDI-UHFFFAOYSA-N |
| MDL Number | MFCD02664809 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | CC1=CC(CC(O)=O)=C(Cl)C=C1 |
| Synonyms | (2-chloro-5-methylphenyl)acetic acid,
81682-39-5,
2-(2-chloro-5-methylphenyl)acetic acid,
(2-chloro-5-methyl-phenyl)-acetic acid,
AC1N6NK7,
SCHEMBL5236792,
ZINC3750847,
BBL020349,
KM4779,
MFCD02664809,
STK891555,
AKOS001476556,
MCULE-9012904003,
Benzeneacetic acid, 2-chloro-5-methyl-,
(2-Chloro-5-methylphenyl)acetic acid, AldrichCPR,
CID4237709,
2-(2-chloro-5-methyl-phenyl)acetic Acid,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.619g/mol |
| Monoisotopic Mass | 184.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number