| CAS Number | 112777-67-0 |
| Catalog Number | AG008XJN(AGN-PC-0P3XCW) |
| Chemical Name | (1R)-1-(3-chlorophenyl)propan-1-ol |
| EC Number | 917-768-6 |
| IUPAC Name | 1-(3-chlorophenyl)propan-1-ol |
| InChI | InChI=1S/C9H11ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3 |
| InChI Key | APYGJPRINQKIQF-UHFFFAOYSA-N |
| MDL Number | MFCD18339565 |
| Molecular Formula | C9H11ClO |
| Molecular Weight | 170.6360 |
| SMILES | ClC=1C=C(C=CC1)[C@@H](CC)O |
| Synonyms | 1-(3-chlorophenyl)propan-1-ol,
32019-30-0,
1-(3-Chlorophenyl)-1-propanol,
112777-67-0,
172748-80-0,
SCHEMBL867222,
CHEMBL2251656,
AKOS000249012,
AKOS022300220,
NE29360,
(1R)-1-(3-chlorophenyl)propan-1-ol,
(1S)-1-(3-chlorophenyl)propan-1-ol,
CID11147981,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.636g/mol |
| Monoisotopic Mass | 170.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number