| CAS Number | 69642-00-8 |
| Catalog Number | AG0069JO(AGN-PC-097AOV) |
| Chemical Name | 1-(1-Bromoethyl)-2-nitrobenzene |
| IUPAC Name | 1-(1-bromoethyl)-2-nitrobenzene |
| InChI | InChI=1S/C8H8BrNO2/c1-6(9)7-4-2-3-5-8(7)10(11)12/h2-6H,1H3 |
| InChI Key | FHKIGGSCRYVAMY-UHFFFAOYSA-N |
| MDL Number | MFCD11103117 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | CC(C1=C([N+]([O-])=O)C=CC=C1)Br |
| Synonyms | 1-(1-bromoethyl)-2-nitrobenzene,
69642-00-8,
Benzene, 1-(1-bromoethyl)-2-nitro-,
1-(2-nitrophenyl)ethyl bromide,
AC1Q1LE3,
SCHEMBL3979945,
CTK1J0902,
DTXSID80505442,
FHKIGGSCRYVAMY-UHFFFAOYSA-N,
AKOS009308400,
EN300-56226,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number