| CAS Number | 80379-10-8 |
| Catalog Number | AG00G331(AGN-PC-0UH0PB) |
| Chemical Name | (S)-1-(2-nitrophenyl)ethanol |
| IUPAC Name | (1S)-1-(2-nitrophenyl)ethanol |
| InChI | InChI=1S/C8H9NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-6,10H,1H3/t6-/m0/s1 |
| InChI Key | DSDBYQDNNWCLHL-LURJTMIESA-N |
| MDL Number | MFCD18339563 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | C[C@@H](C1=CC=CC=C1[N+](=O)[O-])O |
| Synonyms | (S)-1-(2-Nitrophenyl)ethanol,
80379-10-8,
(1S)-1-(2-nitrophenyl)ethan-1-ol,
SCHEMBL2065608,
ZINC1679160,
AKOS012670012,
AJ-29565,
CJ-06245,
NSC47195,
CID11378712,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number