| CAS Number | 787615-38-7 |
| Catalog Number | AG01BXWT |
| Chemical Name | 3-Amino-3-(4-chloro-3-fluorophenyl)propan-1-ol |
| IUPAC Name | 3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol |
| InChI | InChI=1S/C9H11ClFNO/c10-7-2-1-6(5-8(7)11)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2 |
| InChI Key | FEFLEQVGCBGMTC-UHFFFAOYSA-N |
| MDL Number | MFCD06227495 |
| Molecular Formula | C9H11ClFNO |
| Molecular Weight | 203.6411 |
| SMILES | NC(C1=CC(F)=C(Cl)C=C1)CCO |
| Synonyms | 3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol,
787615-38-7,
(3R)-3-AMINO-3-(4-CHLORO-3-FLUOROPHENYL)PROPAN-1-OL,
(3S)-3-AMINO-3-(4-CHLORO-3-FLUOROPHENYL)PROPAN-1-OL,
1213528-14-3,
1213970-15-0,
SCHEMBL15511854,
AKOS011674483,
Z2692093625,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.641g/mol |
| Monoisotopic Mass | 203.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number