| CAS Number | 20001-65-4 |
| Catalog Number | AG019YB2(AGN-PC-0NDST5) |
| Chemical Name | 1-Chloro-4-(1-chloroethyl)benzene |
| IUPAC Name | 1-chloro-4-(1-chloroethyl)benzene |
| InChI | InChI=1S/C8H8Cl2/c1-6(9)7-2-4-8(10)5-3-7/h2-6H,1H3 |
| InChI Key | NOCHRVHWICTPLG-UHFFFAOYSA-N |
| MDL Number | MFCD10691619 |
| Molecular Formula | C8H8Cl2 |
| Molecular Weight | 175.0551 |
| SMILES | Clc1ccc(cc1)C(Cl)C |
| Synonyms | 1-chloro-4-(1-chloroethyl)benzene,
20001-65-4,
SCHEMBL678428,
1-(4-chlorophenyl)ethylchloride,
CTK0J9562,
DTXSID90450398,
NOCHRVHWICTPLG-UHFFFAOYSA-N,
alpha-methyl-4-chlorobenzyl chloride,
STL301884,
AKOS009235223,
MCULE-9193403344,
Benzene, 1-chloro-4-(1-chloroethyl)-,
CID10975999,
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| Complexity | 95.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.052g/mol |
| Monoisotopic Mass | 174g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number