| CAS Number | 1033201-57-8 |
| Catalog Number | AG003D1D(AGN-PC-07XTW3) |
| Chemical Name | 1-(5-Bromo-2-nitrophenyl)pyrrolidine |
| IUPAC Name | 1-(5-bromo-2-nitrophenyl)pyrrolidine |
| InChI | InChI=1S/C10H11BrN2O2/c11-8-3-4-9(13(14)15)10(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2 |
| InChI Key | UAXQTHTZHXKTCH-UHFFFAOYSA-N |
| MDL Number | MFCD10699604 |
| Molecular Formula | C10H11BrN2O2 |
| Molecular Weight | 271.1105 |
| SMILES | BrC1=CC=C(C(=C1)N1CCCC1)[N+](=O)[O-] |
| Synonyms | 1-(5-BROMO-2-NITROPHENYL)PYRROLIDINE,
1033201-57-8,
4-bromo-2-(pyrrolidin-1-yl)nitrobenzene,
ACMC-20985q,
SCHEMBL12684759,
CTK4A1949,
DTXSID50674492,
ANW-14844,
MFCD10699604,
ZINC38537038,
AKOS015834758,
RTR-000754,
AJ-95824,
ST2403229,
TR-000754,
Z6612,
A-4240,
I11-656,
C10H11BrN2O2,
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| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.114g/mol |
| Monoisotopic Mass | 270g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number