| CAS Number | 19935-78-5 |
| Catalog Number | AG002C30(AGN-PC-002CHI) |
| Chemical Name | 1-(1-Chloroethyl)-3-methylbenzene |
| IUPAC Name | 1-(1-chloroethyl)-3-methylbenzene |
| InChI | InChI=1S/C9H11Cl/c1-7-4-3-5-9(6-7)8(2)10/h3-6,8H,1-2H3 |
| InChI Key | DPHXNOVRXVINNX-UHFFFAOYSA-N |
| MDL Number | MFCD14622380 |
| Molecular Formula | C9H11Cl |
| Molecular Weight | 154.6366 |
| SMILES | CC(C1=CC(C)=CC=C1)Cl |
| Synonyms | 1-(1-chloroethyl)-3-methylbenzene,
19935-78-5,
Benzene, 1-(1-chloroethyl)-3-methyl-,
SCHEMBL8750604,
CTK0E0473,
DTXSID90562900,
AKOS010563808,
NE25535,
EN300-94747,
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| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.637g/mol |
| Monoisotopic Mass | 154.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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