| CAS Number | 57027-72-2 |
| Catalog Number | AG00EKQJ(AGN-PC-00KMRO) |
| Chemical Name | 1-(2-Methylpropoxy)-4-nitrobenzene |
| IUPAC Name | 1-(2-methylpropoxy)-4-nitrobenzene |
| InChI | InChI=1S/C10H13NO3/c1-8(2)7-14-10-5-3-9(4-6-10)11(12)13/h3-6,8H,7H2,1-2H3 |
| InChI Key | WCRILJGXNFOWEG-UHFFFAOYSA-N |
| MDL Number | MFCD21985346 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CC(COc1ccc(cc1)[N+](=O)[O-])C |
| Synonyms | 1-(2-methylpropoxy)-4-nitrobenzene,
57027-72-2,
WCRILJGXNFOWEG-UHFFFAOYSA-N,
4-isobutoxynitrobenzene,
1-isobutoxy-4-nitrobenzene,
1-Nitro-4-isobutoxybenzene,
SCHEMBL3045885,
4-Nitrophenol, 2-methylpropyl ether,
KM0062,
ZINC39381691,
AKOS022795510,
DA-42063,
FT-0733321,
V6690,
C10H13NO3,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number