| CAS Number | 1401065-66-4 |
| Catalog Number | AG01DW0B |
| Chemical Name | 4-Chloro-2-cyclopropylphenol |
| IUPAC Name | 4-chloro-2-cyclopropylphenol |
| InChI | InChI=1S/C9H9ClO/c10-7-3-4-9(11)8(5-7)6-1-2-6/h3-6,11H,1-2H2 |
| InChI Key | PQWPXQNBBFTKMB-UHFFFAOYSA-N |
| MDL Number | MFCD25994496 |
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.6202 |
| SMILES | OC1=C(C2CC2)C=C(Cl)C=C1 |
| Synonyms | 4-chloro-2-cyclopropylphenol,
1401065-66-4,
2-cyclopropyl-4-chlorophenol,
SCHEMBL12611071,
PQWPXQNBBFTKMB-UHFFFAOYSA-N,
AKOS021452864,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.62g/mol |
| Monoisotopic Mass | 168.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number