| CAS Number | 38396-08-6 |
| Catalog Number | AG00CHAQ(AGN-PC-00MALY) |
| Chemical Name | 2-Hydroxy-4-nitronaphthalene |
| IUPAC Name | 4-nitronaphthalen-2-ol |
| InChI | InChI=1S/C10H7NO3/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14/h1-6,12H |
| InChI Key | FXDHOYREAWONLZ-UHFFFAOYSA-N |
| MDL Number | MFCD17012281 |
| Molecular Formula | C10H7NO3 |
| Molecular Weight | 189.1675 |
| SMILES | OC1=CC([N+]([O-])=O)=C2C=CC=CC2=C1 |
| Synonyms | 38396-08-6,
2-Hydroxy-4-nitronaphthalene,
4-Nitronaphthalen-2-ol,
2-Naphthalenol, 4-nitro-,
4-Nitro-2-naphthol,
SCHEMBL10708315,
CTK1B4907,
DTXSID30539353,
ZINC39642039,
AKOS034099566,
DB-083679,
FT-0745208,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.17g/mol |
| Monoisotopic Mass | 189.043g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number