| CAS Number | 58287-18-6 |
| Catalog Number | AG00EKDI(AGN-PC-0SPHWA) |
| Chemical Name | (R)-(1-(4-nitrophenyl))ethanol |
| IUPAC Name | (1R)-1-(4-nitrophenyl)ethanol |
| InChI | InChI=1S/C8H9NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3/t6-/m1/s1 |
| InChI Key | CRJFHXYELTYDSG-ZCFIWIBFSA-N |
| MDL Number | MFCD14705971 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | [C@H](C)(O)c1ccc(cc1)N(=O)=O |
| Synonyms | (1R)-1-(4-nitrophenyl)ethan-1-ol,
58287-18-6,
(R)-1-(4-nitrophenyl)ethanol,
AC1Q29BY,
SCHEMBL1317230,
CTK5J1718,
CRJFHXYELTYDSG-ZCFIWIBFSA-N,
(R)-(1-(4-nitrophenyl))ethanol,
ZINC2571406,
AKOS017463732,
TX-015564,
EN300-89276,
Benzenemethanol, alpha-methyl-4-nitro-, (alphaR)-,
1-(4-Nitrophenyl)ethanol,
(+)-(R)-1-(4-Nitrophenyl)ethanol,
CID9793932,
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| Complexity | 158 |
| 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
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Certificate of Analysis
Lot Number