| CAS Number | 218139-59-4 |
| Catalog Number | AG00CG42(AGN-PC-0A60TC) |
| Chemical Name | 1-(3-Methyl-4-nitrophenyl)pyrrolidine |
| IUPAC Name | 1-(3-methyl-4-nitrophenyl)pyrrolidine |
| InChI | InChI=1S/C11H14N2O2/c1-9-8-10(12-6-2-3-7-12)4-5-11(9)13(14)15/h4-5,8H,2-3,6-7H2,1H3 |
| InChI Key | UPSPVRUBINSVBS-UHFFFAOYSA-N |
| MDL Number | MFCD11037903 |
| Molecular Formula | C11H14N2O2 |
| Molecular Weight | 206.2411 |
| SMILES | CC=1C=C(C=CC1[N+](=O)[O-])N1CCCC1 |
| Synonyms | 1-(3-Methyl-4-nitrophenyl)pyrrolidine,
218139-59-4,
SCHEMBL6653754,
UPSPVRUBINSVBS-UHFFFAOYSA-N,
MFCD11037903,
ZINC44713473,
1-(4-nitro-3-methylphenyl)pyrrolidine,
AS-8705,
Pyrrolidine, 1-(3-methyl-4-nitrophenyl)-,
2-Methyl-1-nitro-4-(1-pyrrolidinyl)benzene,
CS-0061262,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.245g/mol |
| Monoisotopic Mass | 206.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number