| CAS Number | 75906-35-3 |
| Catalog Number | AG01B6W4 |
| Chemical Name | 4-(3-chlorophenyl)butan-1-ol |
| IUPAC Name | 4-(3-chlorophenyl)butan-1-ol |
| InChI | InChI=1S/C10H13ClO/c11-10-6-3-5-9(8-10)4-1-2-7-12/h3,5-6,8,12H,1-2,4,7H2 |
| InChI Key | YBUZVYGUBQXUBI-UHFFFAOYSA-N |
| MDL Number | MFCD20340760 |
| Molecular Formula | C10H13ClO |
| Molecular Weight | 184.6626 |
| SMILES | OCCCCC1=CC(Cl)=CC=C1 |
| Synonyms | 3-Chloro-benzenebutanol,
75906-35-3,
SCHEMBL1047900,
4-(3-chlorophenyl)butan-1-ol,
ZINC70770056,
AKOS013840090,
benzenebutanol, 3-chloro-,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.663g/mol |
| Monoisotopic Mass | 184.065g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number