| CAS Number | 19370-33-3 |
| Catalog Number | AG007RZG(AGN-PC-0NKDT2) |
| Chemical Name | Benzene, 1-(2-methylpropyl)-2-nitro- |
| IUPAC Name | 1-(2-methylpropyl)-2-nitrobenzene |
| InChI | InChI=1S/C10H13NO2/c1-8(2)7-9-5-3-4-6-10(9)11(12)13/h3-6,8H,7H2,1-2H3 |
| InChI Key | BRQYNRBNRAERFJ-UHFFFAOYSA-N |
| MDL Number | MFCD00130031 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | CC(C)CC1=CC=CC=C1[N+]([O-])=O |
| Synonyms | 1-Nitro-2-isobutylbenzene,
19370-33-3,
1-(2-Methylpropyl)-2-nitrobenzene,
1-Isobutyl-2-nitrobenzene,
Benzene, 1-(2-methylpropyl)-2-nitro-,
i-butyl nitrobenzene,
SCHEMBL2064880,
CTK0E1182,
DTXSID00510432,
MFCD00130031,
ZINC39298444,
AS05728,
CM12281,
AS-33091,
1-(2-METHYLPROPYL)-2-NITRO-BENZENE,
CS-0059869,
FT-0757158,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number