| CAS Number | 74705-35-4 |
| Catalog Number | AG005UNX(AGN-PC-0NJQ36) |
| Chemical Name | 1-(Chloromethyl)-3-(propan-2-yl)benzene |
| IUPAC Name | 1-(chloromethyl)-3-propan-2-ylbenzene |
| InChI | InChI=1S/C10H13Cl/c1-8(2)10-5-3-4-9(6-10)7-11/h3-6,8H,7H2,1-2H3 |
| InChI Key | OCFXNUNCMJFLML-UHFFFAOYSA-N |
| MDL Number | MFCD19232503 |
| Molecular Formula | C10H13Cl |
| Molecular Weight | 168.6632 |
| SMILES | CC(C1=CC(CCl)=CC=C1)C |
| Synonyms | 74705-35-4,
1-(Chloromethyl)-3-(propan-2-yl)benzene,
1-(chloromethyl)-3-isopropylbenzene,
Benzene, 1-(chloromethyl)-3-(1-methylethyl)-,
SCHEMBL3115675,
CTK2G9839,
DTXSID80505346,
AKOS006388182,
ZINC104737074,
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| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.664g/mol |
| Monoisotopic Mass | 168.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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