| CAS Number | 90649-78-8 |
| Catalog Number | AG00IG8U(AGN-PC-0002BP) |
| Chemical Name | Benzoic acid, 4-chloro-3,5-dimethyl- |
| IUPAC Name | 4-chloro-3,5-dimethylbenzoic acid |
| InChI | InChI=1S/C9H9ClO2/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H,11,12) |
| InChI Key | ZHHGJCFPDAJYTF-UHFFFAOYSA-N |
| MDL Number | MFCD11111063 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | ClC1=C(C=C(C(=O)O)C=C1C)C |
| Synonyms | 4-Chloro-3,5-dimethylbenzoic acid,
90649-78-8,
SCHEMBL4507939,
DTXSID90553939,
ZHHGJCFPDAJYTF-UHFFFAOYSA-N,
ZINC36532846,
AKOS006309011,
Benzoic acid, 4-chloro-3,5-dimethyl-,
AJ-93103,
ST24043571,
Z1063,
Q-7438,
C9H9ClO2,
4-Chloro-3,5-dimethylbenzoicacid,
|
| Complexity | 169 |
| 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 | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number