| CAS Number | 188586-66-5 |
| Catalog Number | AG00I2R3(AGN-PC-0QHQ4Y) |
| Chemical Name | 2-Amino-3-(4-iodophenyl)propan-1-OL |
| IUPAC Name | 2-amino-3-(4-iodophenyl)propan-1-ol |
| InChI | InChI=1S/C9H12INO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2 |
| InChI Key | MPCOBLKNQSOAGC-UHFFFAOYSA-N |
| MDL Number | MFCD21243886 |
| Molecular Formula | C9H12INO |
| Molecular Weight | 277.1021 |
| SMILES | NC(CC1=CC=C(I)C=C1)CO |
| Synonyms | 2-AMINO-3-(4-IODOPHENYL)PROPAN-1-OL,
188586-66-5,
SCHEMBL168652,
Benzenepropanol, b-amino-4-iodo-,
MPCOBLKNQSOAGC-UHFFFAOYSA-N,
MFCD21243886,
AKOS014827017,
2-Amino-3-(4-iodophenyl)-propan-1-ol,
AS-42506,
Z1956828800,
(R)-2-amino-3-(4-iodophenyl)propan-1-ol,
210554-97-5,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.105g/mol |
| Monoisotopic Mass | 276.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number