| CAS Number | 16365-26-7 |
| Catalog Number | AG001UAR(AGN-PC-0LF5JD) |
| Chemical Name | 2-(3-Nitrophenoxy)ethanol |
| IUPAC Name | 2-(3-nitrophenoxy)ethanol |
| InChI | InChI=1S/C8H9NO4/c10-4-5-13-8-3-1-2-7(6-8)9(11)12/h1-3,6,10H,4-5H2 |
| InChI Key | GPYPMRCKTUAVQI-UHFFFAOYSA-N |
| MDL Number | MFCD00463498 |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.1614 |
| SMILES | [N+](=O)([O-])C=1C=C(OCCO)C=CC1 |
| Synonyms | 2-(3-nitrophenoxy)ethanol,
16365-26-7,
Ethanol,2-(3-nitrophenoxy)-,
2-(3-nitrophenoxy)-1-ethanol,
2-(3-nitrophenoxy)ethan-1-ol,
Oprea1_514159,
SCHEMBL77341,
2-(3-Nitro-phenoxy)-ethanol,
AC1NG432,
CTK4D1614,
DTXSID50405389,
GPYPMRCKTUAVQI-UHFFFAOYSA-N,
KS-000028ET,
ZINC2030297,
AKOS002278696,
MCULE-6634717391,
MS-3708,
ST50797929,
ZINC02030297,
CID4668927,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.163g/mol |
| Monoisotopic Mass | 183.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number