| CAS Number | 138957-91-2 |
| Catalog Number | AG00HVCD(AGN-PC-0PNLNM) |
| Chemical Name | Benzenemethanol, 5-(aminomethyl)-a-methyl-2-nitro- |
| IUPAC Name | 1-[5-(aminomethyl)-2-nitrophenyl]ethanol |
| InChI | InChI=1S/C9H12N2O3/c1-6(12)8-4-7(5-10)2-3-9(8)11(13)14/h2-4,6,12H,5,10H2,1H3 |
| InChI Key | WRMWXDOPJMJUDR-UHFFFAOYSA-N |
| MDL Number | MFCD28976671 |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.2032 |
| SMILES | CC(O)C1=CC(CN)=CC=C1[N+]([O-])=O |
| Synonyms | 1-(5-(aminomethyl)-2-nitrophenyl)ethanol,
138957-91-2,
SCHEMBL2148284,
BP-22846,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.206g/mol |
| Monoisotopic Mass | 196.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number