| CAS Number | 21472-86-6 |
| Catalog Number | AG00CBB3(AGN-PC-0JKOEL) |
| Chemical Name | 1,2,3-Trichloro-5-methylbenzene |
| IUPAC Name | 1,2,3-trichloro-5-methylbenzene |
| InChI | InChI=1S/C7H5Cl3/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3 |
| InChI Key | DYBIAGHGODIVSM-UHFFFAOYSA-N |
| MDL Number | MFCD13689008 |
| Molecular Formula | C7H5Cl3 |
| Molecular Weight | 195.4736 |
| SMILES | ClC1=C(C(=CC(=C1)C)Cl)Cl |
| Synonyms | 3,4,5-Trichlorotoluene,
21472-86-6,
1,2,3-trichloro-5-methylbenzene,
AC1L1TMR,
SCHEMBL900938,
CTK0J7475,
DTXSID30275300,
ZINC2034470,
Benzene, 1,2,3-trichloro-5-methyl-,
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| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.467g/mol |
| Monoisotopic Mass | 193.946g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number