| CAS Number | 139021-45-7 |
| Catalog Number | AG00A2QD(AGN-PC-0WG3Q0) |
| Chemical Name | 2-Amino-1-(3-nitrophenyl)ethanol hydrochloride |
| IUPAC Name | 2-amino-1-(3-nitrophenyl)ethanol;hydrochloride |
| InChI | InChI=1S/C8H10N2O3.ClH/c9-5-8(11)6-2-1-3-7(4-6)10(12)13;/h1-4,8,11H,5,9H2;1H |
| InChI Key | YRVUCJSIMXVTIF-UHFFFAOYSA-N |
| MDL Number | MFCD09909504 |
| Molecular Formula | C8H11ClN2O3 |
| Molecular Weight | 218.6375 |
| SMILES | NCC(c1cccc(c1)[N+](=O)[O-])O.Cl |
| Synonyms | 2-Amino-1-(3-nitro-phenyl)-ethanol HCl,
139021-45-7,
2-Amino-1-(3-nitrophenyl)ethanol hydrochloride,
MFCD09909504,
AKOS027255339,
CS-0046946,
2-Amino-1-(3-nitrophenyl)ethan-1-ol hydrochloride,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.637g/mol |
| Monoisotopic Mass | 218.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number