| CAS Number | 179246-25-4 |
| Catalog Number | AG00HZXO(AGN-PC-0JLY6B) |
| Chemical Name | 1-(Benzyloxy)-2-methyl-4-nitrobenzene |
| IUPAC Name | 2-methyl-4-nitro-1-phenylmethoxybenzene |
| InChI | InChI=1S/C14H13NO3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3 |
| InChI Key | ZPCZNIYGVQMCOV-UHFFFAOYSA-N |
| MDL Number | MFCD29043648 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | Cc1cc(ccc1OCc1ccccc1)[N+](=O)[O-] |
| Synonyms | 1-(benzyloxy)-2-methyl-4-nitrobenzene,
179246-25-4,
EINECS 244-988-3,
AC1L3IFO,
AC1Q20XW,
5-(Benzyloxy)-2-nitrotoluene,
SCHEMBL8808139,
ZINC5765195,
(2-Methyl-4-nitrophenyl)benzyl ether,
2-methyl-4-nitro-1-phenylmethoxybenzene,
5-Benzyloxy-2-nitrotoluene,
KST-1B1913,
CID89707,
AR-1B2688,
22424-58-4,
22964-45-0,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number