| CAS Number | 947321-03-1 |
| Catalog Number | AG01DWWE |
| Chemical Name | 1-(Chloromethyl)-3-cyclopropylbenzene |
| IUPAC Name | 1-(chloromethyl)-3-cyclopropylbenzene |
| InChI | InChI=1S/C10H11Cl/c11-7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6,9H,4-5,7H2 |
| InChI Key | ISTXLBILFLBCPI-UHFFFAOYSA-N |
| MDL Number | MFCD19236566 |
| Molecular Formula | C10H11Cl |
| Molecular Weight | 166.6473 |
| SMILES | ClCC1=CC(C2CC2)=CC=C1 |
| Synonyms | 1-(chloromethyl)-3-cyclopropylbenzene,
947321-03-1,
SCHEMBL2911908,
AKOS006375387,
BB 0261909,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.648g/mol |
| Monoisotopic Mass | 166.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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