| CAS Number | 1249113-20-9 |
| Catalog Number | AG01AC0T |
| Chemical Name | 1-amino-2-(3-chlorophenyl)propan-2-ol |
| IUPAC Name | 1-amino-2-(3-chlorophenyl)propan-2-ol |
| InChI | InChI=1S/C9H12ClNO/c1-9(12,6-11)7-3-2-4-8(10)5-7/h2-5,12H,6,11H2,1H3 |
| InChI Key | KIFVYNJHKVIKES-UHFFFAOYSA-N |
| MDL Number | MFCD17216096 |
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.6507 |
| SMILES | ClC1=CC=CC(=C1)C(O)(C)CN |
| Synonyms | 1-amino-2-(3-chlorophenyl)propan-2-ol,
1249113-20-9,
AKOS011285117,
NE27833,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.651g/mol |
| Monoisotopic Mass | 185.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number